#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ehu s ILE -347N 0.00 3.35 -0.01 3.15 1.01 -1.25 -4.98 121.20 122.47 3ehu s ILE -347Ca 0.00 1.17 -0.30 0.00 0.00 0.00 0.00 60.65 61.52 3ehu s ILE -347Cb 0.00 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 3ehu s ILE -347CO 0.00 0.20 1.20 -0.70 0.00 0.00 0.00 174.94 175.64 3ehu s GLU -346N -0.50 4.38 0.28 2.79 2.12 -1.26 -4.79 118.70 121.72 3ehu s GLU -346Ca 0.53 1.71 -0.26 0.00 0.36 0.00 0.00 54.97 57.30 3ehu s GLU -346Cb -0.35 -3.48 -0.09 0.00 0.26 0.00 0.00 34.13 30.47 3ehu s GLU -346CO 0.39 -0.37 0.90 -2.00 -0.54 0.00 0.00 175.26 173.64 3ehu s GLU -345N 1.79 4.60 0.00 4.30 2.12 -1.26 -3.95 118.70 126.30 3ehu s GLU -345Ca 0.57 1.29 0.00 0.00 0.36 0.00 0.00 54.97 57.19 3ehu s GLU -345Cb -0.26 -2.94 0.00 0.00 0.26 0.00 0.00 34.13 31.18 3ehu s GLU -345CO 0.25 0.37 0.00 0.41 -0.54 0.00 0.00 175.26 175.74 3ehu n GLY -344N 0.85 0.75 3.29 -1.50 0.00 -1.26 -5.06 105.19 102.26 3ehu n GLY -344Ca -0.00 -0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 3ehu n GLY -344CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ehu s LYS -343N -0.57 1.47 -0.16 1.61 -2.85 -1.25 -4.40 119.74 113.59 3ehu s LYS -343Ca 0.00 -1.72 -0.00 0.00 -1.00 0.00 0.00 55.97 53.25 3ehu s LYS -343Cb 0.00 0.32 0.04 0.00 -2.06 0.00 0.00 37.83 36.13 3ehu s LYS -343CO 0.00 -0.53 -0.08 -0.51 0.10 0.00 0.00 175.35 174.33 3ehu s LEU -342N -3.22 1.66 -0.18 2.77 1.43 -0.28 -4.88 118.68 115.98 3ehu s LEU -342Ca 0.37 -0.61 -0.06 0.00 -1.03 0.00 0.00 54.13 52.80 3ehu s LEU -342Cb 0.04 -0.99 -0.03 0.00 0.03 0.00 0.00 46.19 45.24 3ehu s LEU -342CO 0.17 -0.15 0.03 -0.69 0.23 0.00 0.00 176.35 175.94 3ehu s VAL -341N 1.59 4.37 -0.07 -1.59 1.01 -1.26 -0.05 120.40 124.40 3ehu s VAL -341Ca 0.02 -0.18 0.05 0.00 0.00 0.00 0.00 61.98 61.87 3ehu s VAL -341Cb -0.15 -2.96 -0.00 0.00 0.00 0.00 0.00 36.38 33.27 3ehu s VAL -341CO -0.08 0.45 -0.22 -0.63 0.00 0.00 0.00 175.10 174.62 3ehu s ILE -340N 0.58 1.84 -0.14 2.22 1.01 0.54 -0.62 121.20 126.64 3ehu s ILE -340Ca 0.01 -0.93 -0.02 0.00 0.00 0.00 0.00 60.65 59.71 3ehu s ILE -340Cb -0.13 -1.58 -0.02 0.00 0.01 0.00 0.00 42.46 40.73 3ehu s ILE -340CO 0.02 0.51 -0.07 0.26 0.00 0.00 0.00 174.94 175.66 3ehu s TRP -339N 0.12 2.95 0.02 3.97 0.52 -0.25 -0.56 118.94 125.71 3ehu s TRP -339Ca -0.10 -0.39 -0.09 0.00 0.02 0.00 0.00 56.10 55.55 3ehu s TRP -339Cb -0.15 -1.90 0.00 0.00 -1.15 0.00 0.00 33.47 30.27 3ehu s TRP -339CO 0.05 -0.07 0.17 -1.50 0.02 0.00 0.00 176.95 175.62 3ehu s ILE -338N 0.27 0.10 0.36 2.03 2.07 -0.85 -1.27 121.20 123.91 3ehu s ILE -338Ca -0.05 -0.81 -0.27 0.00 -1.41 0.00 0.00 60.65 58.11 3ehu s ILE -338Cb -0.15 -0.70 -0.09 0.00 0.13 0.00 0.00 42.46 41.66 3ehu s ILE -338CO 0.04 -0.44 1.21 0.21 -1.91 0.00 0.00 174.94 174.04 3ehu s ASN -337N -1.75 6.70 0.23 4.50 2.47 -1.26 -4.07 114.94 121.76 3ehu s ASN -337Ca -0.10 2.46 0.19 0.00 0.42 0.00 0.00 52.86 55.84 3ehu s ASN -337Cb -0.04 -2.63 0.91 0.00 -1.45 0.00 0.00 41.25 38.04 3ehu s ASN -337CO -0.01 -0.56 1.59 0.61 -3.72 0.00 0.00 177.10 175.01 3ehu n GLY -336N 0.78 -1.01 0.06 1.21 0.00 -1.26 -1.30 105.19 103.67 3ehu n GLY -336Ca 0.02 0.10 0.16 0.00 0.00 0.00 0.00 46.02 46.30 3ehu n GLY -336CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ehu n ASP -335N -2.09 0.20 -4.98 1.61 5.75 -1.26 -4.88 116.55 110.90 3ehu n ASP -335Ca 0.01 -0.93 -0.19 0.00 -0.01 0.00 0.00 54.79 53.66 3ehu n ASP -335Cb 0.13 -0.04 0.05 0.00 -1.03 0.00 0.00 41.12 40.23 3ehu n ASP -335CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3ehu s LYS -334N -2.09 2.42 -1.52 0.11 -0.14 -0.42 -4.75 119.74 113.34 3ehu s LYS -334Ca 0.43 -1.37 -0.11 0.00 -1.36 0.00 0.00 55.97 53.56 3ehu s LYS -334Cb 0.22 -2.63 -0.01 0.00 -1.68 0.00 0.00 37.83 33.73 3ehu s LYS -334CO 0.38 -0.73 2.58 0.41 -0.76 0.00 0.00 175.35 177.24 3ehu n GLY -333N -2.20 4.44 0.19 -3.33 0.00 -1.26 -4.65 105.19 98.38 3ehu n GLY -333Ca 0.12 -1.63 0.06 0.00 0.00 0.00 0.00 46.02 44.58 3ehu n GLY -333CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3ehu h TYR -332N 5.35 0.00 -0.46 1.61 -0.00 -1.90 -1.06 116.97 120.50 3ehu h TYR -332Ca 0.72 0.00 -0.12 0.00 0.00 0.00 0.00 58.73 59.34 3ehu h TYR -332Cb 0.43 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.14 3ehu h TYR -332CO 1.67 0.36 -0.18 -0.91 -0.00 0.00 0.00 178.16 179.10 3ehu h ASN -331N 0.00 0.91 -0.27 0.10 -0.26 -1.96 0.13 115.58 114.23 3ehu h ASN -331Ca -0.00 -0.32 -0.18 0.00 -0.56 0.00 0.00 56.30 55.24 3ehu h ASN -331Cb 0.90 -0.25 0.00 0.00 -1.06 0.00 0.00 38.32 37.91 3ehu h ASN -331CO 0.05 1.08 -0.51 1.23 -1.06 0.00 0.00 177.43 178.21 3ehu h GLY -330N 0.93 0.90 1.09 2.83 0.00 -1.63 -1.98 103.07 105.22 3ehu h GLY -330Ca 0.11 -1.06 -0.01 0.00 0.00 0.00 0.00 47.33 46.37 3ehu h GLY -330CO 0.06 0.95 0.49 -2.00 0.00 0.00 0.00 176.54 176.04 3ehu h LEU -329N 0.59 1.06 -1.72 3.11 5.85 -1.18 -1.70 115.31 121.32 3ehu h LEU -329Ca 0.01 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 3ehu h LEU -329Cb 1.12 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 3ehu h LEU -329CO 0.12 0.84 -0.18 0.00 -0.34 0.00 0.00 178.44 178.88 3ehu h ALA -328N 1.33 1.38 -0.21 1.25 0.00 -0.65 -0.66 119.26 121.71 3ehu h ALA -328Ca 0.31 -0.16 -0.21 0.00 0.00 0.00 0.00 54.91 54.85 3ehu h ALA -328Cb -0.00 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.77 3ehu h ALA -328CO -0.05 0.22 -0.69 0.93 0.00 0.00 0.00 179.25 179.66 3ehu h GLU -327N 0.00 0.83 -0.82 0.00 5.08 -0.57 -0.40 114.58 118.70 3ehu h GLU -327Ca -0.00 -0.61 0.01 0.00 -1.00 0.00 0.00 59.36 57.75 3ehu h GLU -327Cb 0.40 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.71 3ehu h GLU -327CO 0.02 1.23 0.53 0.28 -1.00 0.00 0.00 179.01 180.08 3ehu h VAL -326N 0.60 1.21 -0.78 3.13 2.07 -0.95 -2.32 116.25 119.21 3ehu h VAL -326Ca -0.03 -0.41 0.03 0.00 0.82 0.00 0.00 66.70 67.12 3ehu h VAL -326Cb 1.31 0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 3ehu h VAL -326CO 0.15 0.21 0.50 1.23 0.02 0.00 0.00 177.57 179.68 3ehu h GLY -325N 1.11 1.13 1.29 2.17 0.00 -0.87 -1.44 103.07 106.46 3ehu h GLY -325Ca 0.30 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 47.19 3ehu h GLY -325CO -0.06 0.33 0.15 0.50 0.00 0.00 0.00 176.54 177.45 3ehu h LYS -324N 0.98 0.89 -0.35 4.80 1.57 -0.79 0.17 116.57 123.84 3ehu h LYS -324Ca 0.31 -0.19 -0.13 0.00 -1.87 0.00 0.00 60.65 58.77 3ehu h LYS -324Cb -0.01 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 3ehu h LYS -324CO -0.11 0.80 -0.30 -0.22 -0.57 0.00 0.00 179.45 179.05 3ehu h LYS -323N 0.86 0.82 -0.55 3.15 3.64 -1.14 -0.55 116.57 122.80 3ehu h LYS -323Ca 0.19 -0.42 0.05 0.00 -1.27 0.00 0.00 60.65 59.20 3ehu h LYS -323Cb 0.30 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.08 3ehu h LYS -323CO -0.00 1.05 0.28 0.35 -2.27 0.00 0.00 179.45 178.86 3ehu h PHE -322N 0.61 0.51 -0.57 1.91 3.57 -0.88 -0.56 116.94 121.54 3ehu h PHE -322Ca 0.06 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.59 3ehu h PHE -322Cb 0.88 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.44 3ehu h PHE -322CO 0.07 0.24 0.37 1.49 -2.23 0.00 0.00 178.31 178.25 3ehu h GLU -321N 0.54 0.74 -0.63 1.11 4.81 -0.84 -0.93 114.58 119.37 3ehu h GLU -321Ca 0.25 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.41 3ehu h GLU -321Cb 0.16 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 3ehu h GLU -321CO -0.17 0.49 0.32 0.87 -0.73 0.00 0.00 179.01 179.78 3ehu h LYS -320N 0.76 0.88 0.00 1.92 1.57 -0.55 0.45 116.57 121.60 3ehu h LYS -320Ca 0.21 -0.10 -0.13 0.00 -1.87 0.00 0.00 60.65 58.75 3ehu h LYS -320Cb -0.08 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.04 3ehu h LYS -320CO -0.05 0.67 -0.79 -0.44 -0.57 0.00 0.00 179.45 178.26 3ehu h ASP -319N 0.88 0.00 0.00 0.86 3.32 -0.85 -3.40 116.42 117.23 3ehu h ASP -319Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3ehu h ASP -319Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 3ehu h ASP -319CO -0.03 0.58 -0.98 0.35 -1.72 0.00 0.00 179.24 177.44 3ehu n THR -318N -3.15 0.00 -0.91 0.35 -2.24 -0.38 -5.02 114.28 102.93 3ehu n THR -318Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3ehu n THR -318Cb 0.79 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 3ehu n THR -318CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ehu n GLY -317N 2.58 0.57 3.60 3.38 0.00 0.16 -5.03 105.19 110.45 3ehu n GLY -317Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3ehu n GLY -317CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ehu s ILE -316N -2.10 5.10 -0.00 -0.61 -1.09 -1.25 -5.04 121.20 116.21 3ehu s ILE -316Ca 0.00 0.67 -0.30 0.00 -2.23 0.00 0.00 60.65 58.79 3ehu s ILE -316Cb 0.00 -3.80 -0.06 0.00 -1.58 0.00 0.00 42.46 37.01 3ehu s ILE -316CO 0.00 0.06 1.59 -0.75 -1.23 0.00 0.00 174.94 174.61 3ehu s LYS -315N 2.23 4.21 -0.20 2.79 2.47 -1.26 -3.77 119.74 126.21 3ehu s LYS -315Ca 0.18 2.18 -0.06 0.00 -1.56 0.00 0.00 55.97 56.71 3ehu s LYS -315Cb -0.16 -3.75 -0.03 0.00 -1.46 0.00 0.00 37.83 32.43 3ehu s LYS -315CO 0.10 -0.74 0.02 0.08 0.16 0.00 0.00 175.35 174.97 3ehu s VAL -314N 3.16 4.19 -0.20 4.02 1.01 -1.26 -1.13 120.40 130.19 3ehu s VAL -314Ca 0.71 -0.23 -0.01 0.00 0.00 0.00 0.00 61.98 62.45 3ehu s VAL -314Cb -0.35 -2.90 0.01 0.00 0.00 0.00 0.00 36.38 33.14 3ehu s VAL -314CO 0.29 0.42 -0.14 -0.89 0.00 0.00 0.00 175.10 174.79 3ehu s THR -313N 0.96 2.53 -0.22 3.92 2.01 0.92 -4.87 115.64 120.90 3ehu s THR -313Ca 0.02 -0.84 -0.09 0.00 0.31 0.00 0.00 61.69 61.09 3ehu s THR -313Cb -0.14 -2.14 -0.04 0.00 0.01 0.00 0.00 72.50 70.19 3ehu s THR -313CO 0.02 0.45 0.11 -0.69 -0.69 0.00 0.00 174.62 173.82 3ehu s VAL -312N 1.34 4.95 0.14 3.82 1.01 -1.26 -0.34 120.40 130.07 3ehu s VAL -312Ca 0.04 0.03 0.08 0.00 0.00 0.00 0.00 61.98 62.14 3ehu s VAL -312Cb -0.14 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 3ehu s VAL -312CO -0.09 0.39 -0.18 -1.61 0.00 0.00 0.00 175.10 173.60 3ehu s GLU -311N 0.90 1.20 -0.40 2.72 2.02 0.27 -4.96 118.70 120.46 3ehu s GLU -311Ca 0.05 -1.33 0.10 0.00 0.02 0.00 0.00 54.97 53.81 3ehu s GLU -311Cb -0.13 -1.28 0.30 0.00 0.10 0.00 0.00 34.13 33.11 3ehu s GLU -311CO 0.03 0.27 0.63 -2.39 0.02 0.00 0.00 175.26 173.82 3ehu n HIS -310N 0.51 0.14 -2.04 1.61 1.44 -1.26 -2.00 115.22 113.62 3ehu n HIS -310Ca -0.15 -3.71 -0.38 0.00 -2.01 0.00 0.00 57.72 51.48 3ehu n HIS -310Cb 0.56 -0.39 0.02 0.00 0.12 0.00 0.00 29.99 30.30 3ehu n HIS -310CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 3ehu s PRO -309N -1.83 3.44 0.56 -1.40 0.04 -1.26 -4.35 135.00 130.20 3ehu s PRO -309Ca 0.38 1.97 -0.21 0.00 0.04 0.00 0.00 61.00 63.18 3ehu s PRO -309Cb 0.25 -2.31 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 3ehu s PRO -309CO -0.09 -0.87 1.30 0.34 0.04 0.00 0.00 177.00 177.71 3ehu s ASP -308N -1.20 5.23 -1.47 6.66 2.15 -1.26 -3.19 116.67 123.59 3ehu s ASP -308Ca 0.68 2.63 -0.06 0.00 0.43 0.00 0.00 52.55 56.23 3ehu s ASP -308Cb -0.34 -2.62 0.02 0.00 -0.30 0.00 0.00 42.92 39.68 3ehu s ASP -308CO 0.40 -1.58 0.52 0.29 -0.17 0.00 0.00 175.17 174.63 3ehu n LYS -307N -1.22 -4.25 0.25 4.34 5.02 -1.26 -4.85 118.16 116.20 3ehu n LYS -307Ca 0.12 0.78 0.12 0.00 -2.02 0.00 0.00 58.31 57.31 3ehu n LYS -307Cb 0.47 -5.59 0.74 0.00 -0.02 0.00 0.00 35.03 30.63 3ehu n LYS -307CO 0.00 0.00 0.00 1.37 -0.52 0.00 0.00 177.40 178.25 3ehu h LEU -306N -1.16 0.00 -1.55 -0.35 8.10 -1.94 -1.50 115.31 116.91 3ehu h LEU -306Ca -0.49 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 57.46 3ehu h LEU -306Cb 1.34 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.55 3ehu h LEU -306CO 0.55 0.00 -0.17 1.05 -4.11 0.00 0.00 178.44 175.76 3ehu h GLU -305N 0.00 0.08 0.06 0.17 9.09 -1.90 -0.59 114.58 121.48 3ehu h GLU -305Ca 0.02 -0.02 -0.34 0.00 0.05 0.00 0.00 59.36 59.08 3ehu h GLU -305Cb 0.10 -0.01 -0.04 0.00 -1.65 0.00 0.00 28.75 27.15 3ehu h GLU -305CO -0.00 0.25 -1.92 0.39 0.05 0.00 0.00 179.01 177.78 3ehu n GLU -304N -4.30 0.70 -0.17 1.06 1.02 -0.85 -4.41 120.64 113.69 3ehu n GLU -304Ca -0.02 0.26 -0.09 0.00 -0.02 0.00 0.00 57.16 57.29 3ehu n GLU -304Cb 0.25 -1.73 0.04 0.00 -0.02 0.00 0.00 31.44 29.99 3ehu n GLU -304CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3ehu h LYS -303N 0.03 0.98 0.10 3.49 1.57 -1.09 -3.25 116.57 118.40 3ehu h LYS -303Ca -0.38 -0.35 0.02 0.00 -1.87 0.00 0.00 60.65 58.07 3ehu h LYS -303Cb 2.03 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 34.23 3ehu h LYS -303CO 0.07 1.02 -0.36 0.35 -0.57 0.00 0.00 179.45 179.97 3ehu h PHE -302N 0.87 -0.99 0.00 -1.35 3.57 -1.31 -1.47 116.94 116.26 3ehu h PHE -302Ca 0.14 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 3ehu h PHE -302Cb 0.65 0.42 -0.00 0.00 2.79 0.00 0.00 35.95 39.81 3ehu h PHE -302CO 0.04 -0.46 -0.17 -1.00 -2.23 0.00 0.00 178.31 174.50 3ehu h PRO -301N -0.57 0.00 -0.51 6.41 0.13 -1.78 0.11 132.00 135.79 3ehu h PRO -301Ca 0.03 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.12 3ehu h PRO -301Cb 0.61 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.72 3ehu h PRO -301CO -0.22 0.17 0.15 1.96 -0.23 0.00 0.00 178.00 179.82 3ehu h GLN -300N 0.00 0.79 0.22 0.86 4.20 -1.44 -2.51 115.11 117.24 3ehu h GLN -300Ca -0.00 -0.18 -0.32 0.00 0.06 0.00 0.00 58.65 58.21 3ehu h GLN -300Cb 0.30 -0.11 0.03 0.00 0.30 0.00 0.00 27.48 28.00 3ehu h GLN -300CO 0.02 0.75 -1.42 -0.39 -0.67 0.00 0.00 178.83 177.11 3ehu h VAL -299N 0.69 1.33 -0.02 -0.54 -1.51 -0.86 -3.36 116.25 111.98 3ehu h VAL -299Ca 0.16 -2.77 -0.14 0.00 -1.23 0.00 0.00 66.70 62.73 3ehu h VAL -299Cb 0.29 3.01 -0.02 0.00 -2.13 0.00 0.00 31.29 32.44 3ehu h VAL -299CO -0.00 0.82 -0.62 0.00 -1.23 0.00 0.00 177.57 176.54 3ehu h ALA -298N 0.25 0.94 0.00 5.19 0.00 -0.84 -2.64 119.26 122.16 3ehu h ALA -298Ca -0.23 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.12 3ehu h ALA -298Cb 2.12 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.82 3ehu h ALA -298CO 0.26 0.76 0.03 0.00 0.00 0.00 0.00 179.25 180.30 3ehu h ALA -297N 1.32 1.02 -0.01 0.00 0.00 -1.59 0.20 119.26 120.20 3ehu h ALA -297Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ehu h ALA -297Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3ehu h ALA -297CO 0.09 -0.02 -0.74 0.25 0.00 0.00 0.00 179.25 178.83 3ehu n THR -296N -2.64 0.00 -0.60 0.00 -2.24 -1.02 -4.97 114.28 102.82 3ehu n THR -296Ca -0.02 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 3ehu n THR -296Cb 0.08 1.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.40 3ehu n THR -296CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ehu n GLY -295N 1.46 0.65 0.00 3.38 0.00 0.69 -4.96 105.19 106.41 3ehu n GLY -295Ca 0.07 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3ehu n GLY -295CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ehu n ASP -294N 0.83 0.36 0.00 1.61 -0.08 -1.08 -3.81 116.55 114.38 3ehu n ASP -294Ca 0.00 -0.19 0.00 0.00 -1.51 0.00 0.00 54.79 53.09 3ehu n ASP -294Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 3ehu n ASP -294CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3ehu n GLY -293N 5.00 -1.89 3.88 0.27 0.00 -1.26 -3.96 105.19 107.23 3ehu n GLY -293Ca 0.00 -2.05 -0.30 0.00 0.00 0.00 0.00 46.02 43.67 3ehu n GLY -293CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ehu s PRO -292N -0.08 3.05 0.21 1.61 0.04 -1.26 -4.87 135.00 133.69 3ehu s PRO -292Ca 0.00 0.48 -0.02 0.00 0.04 0.00 0.00 61.00 61.50 3ehu s PRO -292Cb 0.00 -2.06 0.16 0.00 0.04 0.00 0.00 34.50 32.64 3ehu s PRO -292CO 0.00 -0.88 1.55 -0.44 0.04 0.00 0.00 177.00 177.27 3ehu h ASP -291N -0.52 0.61 -3.79 6.66 5.19 -1.25 -3.40 116.42 119.92 3ehu h ASP -291Ca -0.45 -0.30 -0.47 0.00 -0.62 0.00 0.00 57.03 55.20 3ehu h ASP -291Cb 1.24 -0.17 -0.31 0.00 0.18 0.00 0.00 39.33 40.26 3ehu h ASP -291CO 0.63 0.99 -0.80 -0.63 -3.12 0.00 0.00 179.24 176.31 3ehu s ILE -290N -4.13 0.97 -0.09 0.35 1.01 -0.90 -1.13 121.20 117.27 3ehu s ILE -290Ca -0.07 -0.45 0.03 0.00 0.00 0.00 0.00 60.65 60.16 3ehu s ILE -290Cb 0.12 -0.86 0.01 0.00 0.01 0.00 0.00 42.46 41.74 3ehu s ILE -290CO 0.83 0.30 -0.19 -0.51 0.00 0.00 0.00 174.94 175.36 3ehu s ILE -289N 0.22 1.73 -0.24 2.92 2.07 -0.07 -1.09 121.20 126.74 3ehu s ILE -289Ca -0.04 -0.82 -0.08 0.00 -1.41 0.00 0.00 60.65 58.30 3ehu s ILE -289Cb -0.10 -1.52 -0.03 0.00 0.13 0.00 0.00 42.46 40.93 3ehu s ILE -289CO 0.01 0.49 0.08 -0.36 -1.91 0.00 0.00 174.94 173.25 3ehu s PHE -288N 0.54 3.12 0.20 3.50 0.40 -0.40 0.33 117.98 125.68 3ehu s PHE -288Ca -0.15 -0.28 -0.18 0.00 -0.60 0.00 0.00 56.93 55.71 3ehu s PHE -288Cb -0.17 -2.23 0.03 0.00 0.51 0.00 0.00 43.02 41.16 3ehu s PHE -288CO 0.05 -0.26 0.56 -0.46 0.70 0.00 0.00 175.22 175.81 3ehu s TRP -287N 1.44 -0.16 0.63 0.36 -0.11 -0.67 -4.37 118.94 116.06 3ehu s TRP -287Ca 0.06 -0.18 -0.18 0.00 1.22 0.00 0.00 56.10 57.01 3ehu s TRP -287Cb -0.15 0.45 -0.03 0.00 -1.50 0.00 0.00 33.47 32.24 3ehu s TRP -287CO 0.04 -0.95 1.18 0.00 -4.62 0.00 0.00 176.95 172.60 3ehu n ALA -286N -0.36 0.84 0.28 5.86 0.00 -1.26 -0.57 120.51 125.29 3ehu n ALA -286Ca -0.10 0.01 0.18 0.00 0.00 0.00 0.00 53.44 53.53 3ehu n ALA -286Cb 0.62 -2.25 0.94 0.00 0.00 0.00 0.00 19.45 18.76 3ehu n ALA -286CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 3ehu h HIS -285N 0.56 0.00 0.00 0.00 2.07 -1.27 -3.14 115.15 113.38 3ehu h HIS -285Ca -0.50 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.02 3ehu h HIS -285Cb 1.35 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.33 3ehu h HIS -285CO 0.40 0.00 -0.02 0.38 -3.07 0.00 0.00 177.93 175.62 3ehu h ASP -284N 0.00 0.00 0.99 3.10 2.03 -1.87 -2.07 116.42 118.61 3ehu h ASP -284Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3ehu h ASP -284Cb 0.05 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.55 3ehu h ASP -284CO 0.00 0.02 -0.50 0.54 -1.03 0.00 0.00 179.24 178.27 3ehu n ARG -283N -3.16 0.29 0.14 4.15 5.12 -1.19 -4.43 116.66 117.58 3ehu n ARG -283Ca -0.01 0.11 0.02 0.00 -1.93 0.00 0.00 57.85 56.04 3ehu n ARG -283Cb 0.20 -1.71 0.05 0.00 -1.16 0.00 0.00 32.46 29.84 3ehu n ARG -283CO 0.00 0.00 0.00 0.74 -1.93 0.00 0.00 177.63 176.44 3ehu h PHE -282N 0.00 0.00 -0.49 -1.55 -1.00 -1.59 -3.01 116.94 109.30 3ehu h PHE -282Ca 0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 3ehu h PHE -282Cb 0.75 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.29 3ehu h PHE -282CO 0.00 0.54 0.26 0.78 -1.61 0.00 0.00 178.31 178.28 3ehu h GLY -281N 3.27 0.74 1.04 -1.45 0.00 -1.53 -0.28 103.07 104.87 3ehu h GLY -281Ca -0.01 -0.34 -0.07 0.00 0.00 0.00 0.00 47.33 46.91 3ehu h GLY -281CO 0.07 0.33 0.11 -1.33 0.00 0.00 0.00 176.54 175.72 3ehu h GLY -280N 0.65 1.11 0.99 4.60 0.00 -1.69 -0.52 103.07 108.20 3ehu h GLY -280Ca 0.17 -0.73 -0.00 0.00 0.00 0.00 0.00 47.33 46.77 3ehu h GLY -280CO -0.03 0.68 0.25 -0.97 0.00 0.00 0.00 176.54 176.47 3ehu h TYR -279N 0.94 0.52 -0.52 5.60 0.05 -1.39 -1.60 116.97 120.57 3ehu h TYR -279Ca 0.19 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.95 3ehu h TYR -279Cb 0.41 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 37.96 3ehu h TYR -279CO 0.03 0.35 0.23 0.00 -1.05 0.00 0.00 178.16 177.73 3ehu h ALA -278N 1.12 0.67 -0.43 3.88 0.00 -0.86 -0.27 119.26 123.36 3ehu h ALA -278Ca 0.14 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3ehu h ALA -278Cb -0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3ehu h ALA -278CO -0.03 0.25 0.14 0.37 0.00 0.00 0.00 179.25 179.99 3ehu h GLN -277N 0.69 0.63 0.00 0.00 4.15 -0.92 -0.52 115.11 119.15 3ehu h GLN -277Ca 0.18 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.50 3ehu h GLN -277Cb 0.15 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.73 3ehu h GLN -277CO -0.02 0.55 0.00 0.43 -1.93 0.00 0.00 178.83 177.86 3ehu n SER -276N -4.34 0.00 0.00 -0.69 7.64 -0.62 -4.87 113.62 110.74 3ehu n SER -276Ca 0.03 -0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.79 3ehu n SER -276Cb 0.17 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 3ehu n SER -276CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ehu n GLY -275N 0.57 0.43 0.07 0.23 0.00 -0.20 -4.93 105.19 101.36 3ehu n GLY -275Ca 0.11 -0.82 0.12 0.00 0.00 0.00 0.00 46.02 45.44 3ehu n GLY -275CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ehu n LEU -274N 0.00 0.68 -4.41 0.99 4.77 -0.15 -4.69 117.00 114.18 3ehu n LEU -274Ca 0.00 0.35 -0.32 0.00 -0.03 0.00 0.00 56.01 56.01 3ehu n LEU -274Cb 0.00 -0.25 -0.14 0.00 -2.33 0.00 0.00 43.42 40.70 3ehu n LEU -274CO 0.00 -0.08 -0.49 -0.76 -1.33 0.00 0.00 177.39 174.73 3ehu s LEU -273N -4.17 2.52 0.36 2.23 1.43 -1.25 -0.54 118.68 119.26 3ehu s LEU -273Ca 0.09 -0.29 -0.26 0.00 -1.03 0.00 0.00 54.13 52.63 3ehu s LEU -273Cb 0.14 -1.49 -0.09 0.00 0.03 0.00 0.00 46.19 44.77 3ehu s LEU -273CO 0.66 0.32 1.09 0.00 0.23 0.00 0.00 176.35 178.66 3ehu s ALA -272N -0.59 3.21 0.25 4.21 0.00 0.01 -4.61 121.76 124.23 3ehu s ALA -272Ca 0.09 0.83 -0.30 0.00 0.00 0.00 0.00 51.96 52.58 3ehu s ALA -272Cb -0.11 -3.32 -0.09 0.00 0.00 0.00 0.00 23.12 19.60 3ehu s ALA -272CO 0.01 -0.27 1.28 -2.00 0.00 0.00 0.00 175.76 174.78 3ehu s GLU -271N -2.11 4.41 0.39 0.00 2.12 -1.26 -4.69 118.70 117.57 3ehu s GLU -271Ca 0.53 2.07 -0.03 0.00 0.36 0.00 0.00 54.97 57.91 3ehu s GLU -271Cb -0.27 -3.16 -0.04 0.00 0.26 0.00 0.00 34.13 30.92 3ehu s GLU -271CO 0.35 -0.17 0.65 0.96 -0.54 0.00 0.00 175.26 176.50 3ehu s ILE -270N -0.42 5.01 -0.33 -3.70 -4.36 -0.42 -5.01 121.20 111.97 3ehu s ILE -270Ca 0.53 -0.12 0.14 0.00 -0.26 0.00 0.00 60.65 60.93 3ehu s ILE -270Cb -0.37 -3.85 0.46 0.00 1.25 0.00 0.00 42.46 39.96 3ehu s ILE -270CO 0.43 -0.65 1.08 0.35 0.24 0.00 0.00 174.94 176.39 3ehu n THR -269N -1.87 1.74 -2.32 8.37 -2.24 -1.26 -4.77 114.28 111.93 3ehu n THR -269Ca -0.02 -3.75 -0.40 0.00 -2.27 0.00 0.00 64.05 57.61 3ehu n THR -269Cb 0.55 -0.05 -0.03 0.00 -2.10 0.00 0.00 70.33 68.70 3ehu n THR -269CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3ehu s PRO -268N -3.50 4.52 1.04 -0.78 0.04 -1.26 -5.01 135.00 130.05 3ehu s PRO -268Ca 0.37 1.97 -0.12 0.00 0.04 0.00 0.00 61.00 63.27 3ehu s PRO -268Cb 0.40 -3.14 0.21 0.00 0.04 0.00 0.00 34.50 32.01 3ehu s PRO -268CO -0.04 0.03 1.08 0.16 0.04 0.00 0.00 177.00 178.27 3ehu s ASP -267N -0.65 2.22 0.19 6.66 1.47 -1.26 -4.75 116.67 120.54 3ehu s ASP -267Ca 0.47 1.28 -0.12 0.00 1.18 0.00 0.00 52.55 55.37 3ehu s ASP -267Cb -0.35 -1.98 0.15 0.00 -0.34 0.00 0.00 42.92 40.40 3ehu s ASP -267CO 0.45 -3.40 1.83 0.11 0.68 0.00 0.00 175.17 174.85 3ehu h LYS -266N -2.07 0.73 -0.46 2.11 1.79 -1.99 -1.92 116.57 114.76 3ehu h LYS -266Ca -0.56 -0.04 0.09 0.00 -2.18 0.00 0.00 60.65 57.96 3ehu h LYS -266Cb 1.33 -0.17 -0.09 0.00 -1.58 0.00 0.00 32.23 31.73 3ehu h LYS -266CO 0.56 0.49 -0.10 0.00 -1.08 0.00 0.00 179.45 179.31 3ehu h ALA -265N 1.27 0.32 -0.20 3.86 0.00 -1.99 -1.10 119.26 121.42 3ehu h ALA -265Ca 0.25 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.33 3ehu h ALA -265Cb 0.01 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3ehu h ALA -265CO -0.10 -0.44 0.12 0.35 0.00 0.00 0.00 179.25 179.18 3ehu h PHE -264N 0.01 0.27 -0.67 0.00 3.04 -1.81 -2.97 116.94 114.80 3ehu h PHE -264Ca 0.22 -0.00 0.05 0.00 3.98 0.00 0.00 57.97 62.23 3ehu h PHE -264Cb 0.34 -0.09 -0.04 0.00 2.56 0.00 0.00 35.95 38.72 3ehu h PHE -264CO -0.38 0.22 0.44 1.96 -2.02 0.00 0.00 178.31 178.52 3ehu h GLN -263N 0.24 0.69 0.00 1.11 4.20 -0.97 0.28 115.11 120.67 3ehu h GLN -263Ca 0.07 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.74 3ehu h GLN -263Cb 0.03 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.65 3ehu h GLN -263CO -0.01 0.46 0.00 0.22 -0.67 0.00 0.00 178.83 178.82 3ehu h ASP -262N 0.71 0.00 0.96 1.46 3.58 -1.05 -2.50 116.42 119.58 3ehu h ASP -262Ca 0.28 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.73 3ehu h ASP -262Cb 0.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.26 3ehu h ASP -262CO -0.09 0.00 0.00 0.11 -2.88 0.00 0.00 179.24 176.38 3ehu h LYS -261N 0.00 0.00 -6.36 0.28 1.57 -0.86 -3.45 116.57 107.75 3ehu h LYS -261Ca 0.00 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.17 3ehu h LYS -261Cb 0.32 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.50 3ehu h LYS -261CO 0.00 0.00 -0.71 -0.51 -0.57 0.00 0.00 179.45 177.66 3ehu s LEU -260N -4.65 2.96 0.28 2.94 1.43 -0.94 -1.30 118.68 119.40 3ehu s LEU -260Ca 0.06 -0.66 -0.30 0.00 -1.03 0.00 0.00 54.13 52.20 3ehu s LEU -260Cb 0.10 -1.59 -0.11 0.00 0.03 0.00 0.00 46.19 44.63 3ehu s LEU -260CO 0.46 0.07 1.50 -0.31 0.23 0.00 0.00 176.35 178.30 3ehu s TYR -259N -1.96 2.88 0.23 0.29 2.02 -0.69 -4.90 117.35 115.21 3ehu s TYR -259Ca 0.27 0.95 -0.17 0.00 -0.37 0.00 0.00 57.07 57.75 3ehu s TYR -259Cb -0.08 -3.93 0.24 0.00 -0.40 0.00 0.00 41.96 37.79 3ehu s TYR -259CO 0.16 -3.04 1.56 -1.35 -1.57 0.00 0.00 175.55 171.31 3ehu h PRO -258N 4.76 -0.03 -0.01 -1.71 0.11 -1.94 -1.49 132.00 131.69 3ehu h PRO -258Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3ehu h PRO -258Cb 1.22 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 3ehu h PRO -258CO 0.77 -0.02 0.02 0.27 -0.21 0.00 0.00 178.00 178.82 3ehu h PHE -257N -0.04 0.00 0.10 0.65 -0.00 -2.00 -1.34 116.94 114.32 3ehu h PHE -257Ca 0.34 0.00 -0.27 0.00 -0.00 0.00 0.00 57.97 58.04 3ehu h PHE -257Cb 0.60 0.00 0.01 0.00 -0.00 0.00 0.00 35.95 36.56 3ehu h PHE -257CO -0.81 0.00 -1.17 1.79 -0.00 0.00 0.00 178.31 178.13 3ehu h THR -256N 0.00 1.41 -0.55 0.88 1.35 -1.65 -2.83 112.91 111.52 3ehu h THR -256Ca 0.01 -2.72 -0.04 0.00 -0.55 0.00 0.00 66.41 63.11 3ehu h THR -256Cb 0.04 2.74 -0.03 0.00 -1.73 0.00 0.00 68.15 69.17 3ehu h THR -256CO -0.00 0.81 0.18 -0.50 -0.25 0.00 0.00 175.52 175.75 3ehu h TRP -255N 0.17 0.83 -0.66 4.73 -0.00 -1.22 -2.56 115.95 117.24 3ehu h TRP -255Ca -0.14 -0.06 0.06 0.00 -0.00 0.00 0.00 58.89 58.75 3ehu h TRP -255Cb 1.85 -0.25 -0.04 0.00 -0.00 0.00 0.00 29.16 30.72 3ehu h TRP -255CO 0.08 0.67 0.43 -0.44 -0.00 0.00 0.00 178.44 179.19 3ehu h ASP -254N 0.80 0.59 0.98 -3.49 5.19 -1.20 -2.43 116.42 116.86 3ehu h ASP -254Ca 0.18 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.58 3ehu h ASP -254Cb 0.23 -0.13 -0.00 0.00 0.18 0.00 0.00 39.33 39.61 3ehu h ASP -254CO -0.01 0.39 -0.07 0.00 -3.12 0.00 0.00 179.24 176.43 3ehu h ALA -253N 1.64 1.02 -0.12 3.45 0.00 -1.21 -3.00 119.26 121.04 3ehu h ALA -253Ca 0.28 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3ehu h ALA -253Cb 0.24 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3ehu h ALA -253CO -0.09 0.08 -0.03 1.33 0.00 0.00 0.00 179.25 180.55 3ehu n VAL -252N -3.20 2.10 -3.90 0.00 0.24 -0.94 -4.75 118.33 107.89 3ehu n VAL -252Ca 0.00 -2.19 -0.36 0.00 -2.04 0.00 0.00 64.34 59.75 3ehu n VAL -252Cb 0.34 -0.25 -0.11 0.00 -1.47 0.00 0.00 33.84 32.35 3ehu n VAL -252CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3ehu s ARG -251N -2.90 3.80 -0.04 7.34 3.52 -1.09 -1.04 118.95 128.54 3ehu s ARG -251Ca 0.37 -0.42 -0.01 0.00 -0.13 0.00 0.00 55.73 55.54 3ehu s ARG -251Cb 0.32 -3.27 0.03 0.00 -1.56 0.00 0.00 34.95 30.46 3ehu s ARG -251CO 0.05 0.02 0.03 -0.47 -0.81 0.00 0.00 175.30 174.11 3ehu s TYR -250N 1.06 0.27 -1.61 5.12 5.04 0.47 -4.78 117.35 122.93 3ehu s TYR -250Ca 0.04 0.07 -0.13 0.00 -2.44 0.00 0.00 57.07 54.61 3ehu s TYR -250Cb -0.14 -0.51 0.11 0.00 0.35 0.00 0.00 41.96 41.77 3ehu s TYR -250CO 0.03 -0.19 0.74 0.09 -1.34 0.00 0.00 175.55 174.88 3ehu n ASN -249N 4.81 -2.90 0.00 4.32 4.13 -1.26 -1.80 115.26 122.57 3ehu n ASN -249Ca -0.13 -0.97 0.00 0.00 1.68 0.00 0.00 54.58 55.16 3ehu n ASN -249Cb 0.50 -3.04 0.00 0.00 -1.54 0.00 0.00 39.78 35.70 3ehu n ASN -249CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3ehu n GLY -248N -1.59 1.87 3.58 7.41 0.00 -1.26 -5.02 105.19 110.19 3ehu n GLY -248Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 3ehu n GLY -248CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ehu s LYS -247N -0.34 2.61 -0.05 1.61 1.02 -0.75 -5.09 119.74 118.75 3ehu s LYS -247Ca 0.00 -0.66 -0.30 0.00 0.02 0.00 0.00 55.97 55.03 3ehu s LYS -247Cb 0.00 -2.52 -0.04 0.00 -0.52 0.00 0.00 37.83 34.75 3ehu s LYS -247CO 0.00 0.62 1.28 -0.51 -0.92 0.00 0.00 175.35 175.83 3ehu s LEU -246N -1.17 4.28 0.00 3.17 1.43 -1.26 -0.39 118.68 124.74 3ehu s LEU -246Ca 0.15 1.91 0.01 0.00 -1.03 0.00 0.00 54.13 55.18 3ehu s LEU -246Cb -0.11 -3.56 0.03 0.00 0.03 0.00 0.00 46.19 42.58 3ehu s LEU -246CO 0.05 -0.65 0.82 2.30 0.23 0.00 0.00 176.35 179.09 3ehu n ILE -245N 4.72 0.55 -3.56 -0.59 -5.35 -0.20 -1.30 119.36 113.63 3ehu n ILE -245Ca 0.12 -0.78 -0.06 0.00 -0.27 0.00 0.00 62.75 61.76 3ehu n ILE -245Cb 0.45 0.74 -0.02 0.00 -1.74 0.00 0.00 39.64 39.07 3ehu n ILE -245CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3ehu s ALA -244N -0.61 -1.97 -0.19 -1.28 0.00 -1.26 -4.56 121.76 111.89 3ehu s ALA -244Ca 0.02 1.39 -0.19 0.00 0.00 0.00 0.00 51.96 53.18 3ehu s ALA -244Cb 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 3ehu s ALA -244CO 0.02 -0.60 0.55 0.71 0.00 0.00 0.00 175.76 176.44 3ehu s TYR -243N -2.55 3.38 0.30 0.00 1.51 -0.54 -4.87 117.35 114.58 3ehu s TYR -243Ca 0.07 0.84 -0.29 0.00 -1.01 0.00 0.00 57.07 56.68 3ehu s TYR -243Cb -0.01 -2.71 -0.10 0.00 -0.11 0.00 0.00 41.96 39.04 3ehu s TYR -243CO -0.06 -0.11 1.12 -2.14 -1.11 0.00 0.00 175.55 173.25 3ehu s PRO -242N 1.65 4.54 0.02 -1.71 0.02 -1.26 -0.52 135.00 137.75 3ehu s PRO -242Ca 0.26 1.82 -0.02 0.00 0.02 0.00 0.00 61.00 63.08 3ehu s PRO -242Cb -0.16 -3.10 -0.01 0.00 0.02 0.00 0.00 34.50 31.26 3ehu s PRO -242CO 0.10 0.12 -0.04 -0.89 -0.33 0.00 0.00 177.00 175.96 3ehu n ILE -241N 0.99 0.79 -3.85 2.83 2.08 0.14 -4.74 119.36 117.60 3ehu n ILE -241Ca -0.00 0.19 -0.11 0.00 0.56 0.00 0.00 62.75 63.39 3ehu n ILE -241Cb 0.45 -1.62 -0.09 0.00 -0.75 0.00 0.00 39.64 37.63 3ehu n ILE -241CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3ehu s ALA -240N -2.09 -0.37 -0.32 -1.39 0.00 -0.98 -2.09 121.76 114.52 3ehu s ALA -240Ca -0.04 -0.19 -0.10 0.00 0.00 0.00 0.00 51.96 51.63 3ehu s ALA -240Cb 0.01 0.20 -0.00 0.00 0.00 0.00 0.00 23.12 23.33 3ehu s ALA -240CO 0.05 -0.30 0.17 0.08 0.00 0.00 0.00 175.76 175.76 3ehu s VAL -239N -2.07 4.66 -0.31 0.00 1.01 -0.09 0.11 120.40 123.72 3ehu s VAL -239Ca -0.09 -0.46 -0.11 0.00 0.00 0.00 0.00 61.98 61.32 3ehu s VAL -239Cb -0.04 -3.41 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 3ehu s VAL -239CO -0.01 0.02 0.19 -1.61 0.00 0.00 0.00 175.10 173.69 3ehu s GLU -238N 1.62 3.64 -0.03 2.72 2.02 0.19 -3.69 118.70 125.16 3ehu s GLU -238Ca 0.04 -0.53 0.03 0.00 0.02 0.00 0.00 54.97 54.54 3ehu s GLU -238Cb -0.17 -3.67 -0.00 0.00 0.10 0.00 0.00 34.13 30.39 3ehu s GLU -238CO 0.07 -0.32 -0.13 0.00 0.02 0.00 0.00 175.26 174.89 3ehu s ALA -237N 1.70 1.19 0.40 5.21 0.00 -1.26 -1.61 121.76 127.38 3ehu s ALA -237Ca 0.06 -0.52 -0.25 0.00 0.00 0.00 0.00 51.96 51.25 3ehu s ALA -237Cb -0.17 -0.40 -0.08 0.00 0.00 0.00 0.00 23.12 22.47 3ehu s ALA -237CO 0.09 0.22 1.20 -0.51 0.00 0.00 0.00 175.76 176.76 3ehu s LEU -236N 0.07 4.20 0.29 0.00 1.43 -1.26 -4.44 118.68 118.97 3ehu s LEU -236Ca -0.02 2.43 0.02 0.00 -1.03 0.00 0.00 54.13 55.53 3ehu s LEU -236Cb -0.09 -3.99 -0.04 0.00 0.03 0.00 0.00 46.19 42.10 3ehu s LEU -236CO 0.01 -0.72 0.12 -0.44 0.23 0.00 0.00 176.35 175.56 3ehu s SER -235N -1.03 1.54 -0.24 2.29 0.01 -0.67 -4.79 113.70 110.80 3ehu s SER -235Ca 0.57 -1.48 -0.21 0.00 1.31 0.00 0.00 55.95 56.13 3ehu s SER -235Cb -0.33 0.27 -0.02 0.00 0.21 0.00 0.00 66.02 66.16 3ehu s SER -235CO 0.41 -0.81 0.67 -0.22 0.41 0.00 0.00 173.24 173.71 3ehu s LEU -234N -3.37 4.08 -0.18 2.44 2.96 -0.29 -2.45 118.68 121.87 3ehu s LEU -234Ca 0.36 0.80 -0.06 0.00 -0.22 0.00 0.00 54.13 55.00 3ehu s LEU -234Cb 0.06 -2.93 -0.04 0.00 0.50 0.00 0.00 46.19 43.78 3ehu s LEU -234CO 0.15 -0.39 0.04 -0.63 -1.32 0.00 0.00 176.35 174.20 3ehu s ILE -233N 2.49 4.54 0.04 6.68 1.01 0.05 -0.65 121.20 135.35 3ehu s ILE -233Ca 0.28 -0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.82 3ehu s ILE -233Cb -0.15 -3.03 -0.03 0.00 0.01 0.00 0.00 42.46 39.26 3ehu s ILE -233CO 0.09 0.47 -0.06 -0.72 0.00 0.00 0.00 174.94 174.71 3ehu s TYR -232N 0.40 0.55 -0.37 3.97 1.13 -0.42 -0.61 117.35 122.00 3ehu s TYR -232Ca 0.01 -0.60 -0.21 0.00 -1.41 0.00 0.00 57.07 54.86 3ehu s TYR -232Cb -0.13 -0.34 0.01 0.00 -1.10 0.00 0.00 41.96 40.39 3ehu s TYR -232CO 0.01 -0.15 0.64 1.21 -2.51 0.00 0.00 175.55 174.75 3ehu s ASN -231N -1.81 6.41 0.49 -0.18 3.84 0.62 -0.78 114.94 123.53 3ehu s ASN -231Ca -0.08 0.07 0.24 0.00 0.21 0.00 0.00 52.86 53.29 3ehu s ASN -231Cb -0.07 -2.33 1.26 0.00 -0.55 0.00 0.00 41.25 39.56 3ehu s ASN -231CO -0.01 -0.63 2.01 0.11 -2.79 0.00 0.00 177.10 175.78 3ehu h LYS -230N 8.54 0.00 0.13 0.43 1.57 -0.20 0.65 116.57 127.69 3ehu h LYS -230Ca -0.26 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.24 3ehu h LYS -230Cb 1.11 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.43 3ehu h LYS -230CO 0.85 0.17 -1.24 -0.44 -0.57 0.00 0.00 179.45 178.22 3ehu h ASP -229N 0.00 0.51 0.41 0.86 3.32 -1.93 -2.73 116.42 116.86 3ehu h ASP -229Ca -0.00 -0.52 -0.23 0.00 0.02 0.00 0.00 57.03 56.30 3ehu h ASP -229Cb 0.41 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3ehu h ASP -229CO 0.02 1.39 -0.97 -0.07 -1.72 0.00 0.00 179.24 177.90 3ehu h LEU -228N 0.11 0.48 -6.01 1.55 3.38 -1.87 -3.42 115.31 109.52 3ehu h LEU -228Ca -0.15 -0.40 -0.44 0.00 0.09 0.00 0.00 57.88 56.99 3ehu h LEU -228Cb 1.95 -0.15 -0.31 0.00 0.09 0.00 0.00 40.66 42.24 3ehu h LEU -228CO 0.21 1.21 -0.80 -0.22 0.09 0.00 0.00 178.44 178.93 3ehu s LEU -227N -7.62 0.38 0.27 1.67 2.96 0.20 -5.00 118.68 111.55 3ehu s LEU -227Ca -0.05 -2.43 -0.03 0.00 -0.22 0.00 0.00 54.13 51.40 3ehu s LEU -227Cb 0.09 0.35 0.36 0.00 0.50 0.00 0.00 46.19 47.50 3ehu s LEU -227CO 0.86 -0.16 1.88 1.55 -1.32 0.00 0.00 176.35 179.16 3ehu h PRO -226N 5.77 1.02 -3.98 0.98 0.13 -1.69 -3.36 132.00 130.86 3ehu h PRO -226Ca 0.17 -0.14 -0.70 0.00 -0.87 0.00 0.00 66.00 64.46 3ehu h PRO -226Cb 0.99 -0.19 -0.34 0.00 0.13 0.00 0.00 31.00 31.59 3ehu h PRO -226CO 0.24 0.79 -0.42 -0.80 -0.23 0.00 0.00 178.00 177.58 3ehu s ASN -225N -6.41 5.34 0.68 1.44 0.01 -1.26 -4.99 114.94 109.75 3ehu s ASN -225Ca -0.11 -2.47 -0.17 0.00 -0.71 0.00 0.00 52.86 49.40 3ehu s ASN -225Cb 0.17 -1.87 0.01 0.00 0.41 0.00 0.00 41.25 39.96 3ehu s ASN -225CO 0.81 -0.47 1.24 -2.16 -1.51 0.00 0.00 177.10 175.01 3ehu s PRO -224N 0.51 2.38 0.40 -0.60 0.04 -1.26 -4.96 135.00 131.52 3ehu s PRO -224Ca 0.13 1.89 -0.26 0.00 0.04 0.00 0.00 61.00 62.80 3ehu s PRO -224Cb -0.21 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.39 3ehu s PRO -224CO -0.04 -1.68 1.24 -1.25 0.04 0.00 0.00 177.00 175.31 3ehu s PRO -223N -3.63 4.02 0.25 0.56 0.04 -1.26 -4.94 135.00 130.03 3ehu s PRO -223Ca 0.78 2.01 0.23 0.00 0.04 0.00 0.00 61.00 64.06 3ehu s PRO -223Cb -0.33 -2.73 0.11 0.00 0.04 0.00 0.00 34.50 31.59 3ehu s PRO -223CO 0.42 -0.40 1.19 0.87 0.04 0.00 0.00 177.00 179.12 3ehu h LYS -222N 2.69 0.00 -5.57 4.56 1.57 -1.97 -3.43 116.57 114.42 3ehu h LYS -222Ca -0.49 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 57.82 3ehu h LYS -222Cb 1.24 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 33.32 3ehu h LYS -222CO 0.63 0.00 -0.80 0.95 -0.57 0.00 0.00 179.45 179.66 3ehu s THR -221N -3.31 1.28 0.30 -0.16 -4.23 -1.26 -1.10 115.64 107.16 3ehu s THR -221Ca 0.02 -1.27 -0.01 0.00 -1.18 0.00 0.00 61.69 59.24 3ehu s THR -221Cb 0.09 -1.19 0.23 0.00 1.34 0.00 0.00 72.50 72.97 3ehu s THR -221CO 0.76 -0.10 1.92 -0.50 -0.54 0.00 0.00 174.62 176.16 3ehu h TRP -220N 4.46 0.96 0.00 3.99 4.06 -1.19 -3.19 115.95 125.04 3ehu h TRP -220Ca -0.41 -0.01 -0.00 0.00 2.06 0.00 0.00 58.89 60.52 3ehu h TRP -220Cb 1.18 -0.31 -0.00 0.00 -1.00 0.00 0.00 29.16 29.03 3ehu h TRP -220CO 0.59 0.66 -0.02 0.93 -3.56 0.00 0.00 178.44 177.05 3ehu h GLU -219N 0.99 0.00 -0.00 0.49 3.07 -1.97 -1.36 114.58 115.80 3ehu h GLU -219Ca 0.25 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.11 3ehu h GLU -219Cb 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.93 3ehu h GLU -219CO -0.04 0.02 -0.23 -0.85 -1.40 0.00 0.00 179.01 176.51 3ehu n GLU -218N -3.26 0.45 -0.16 2.33 0.28 -1.20 -4.35 120.64 114.73 3ehu n GLU -218Ca -0.02 -0.20 -0.08 0.00 -0.16 0.00 0.00 57.16 56.70 3ehu n GLU -218Cb 0.15 -1.50 0.07 0.00 1.43 0.00 0.00 31.44 31.59 3ehu n GLU -218CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 3ehu h ILE -217N 0.50 1.26 -0.20 3.84 2.04 -1.40 -2.58 117.51 120.97 3ehu h ILE -217Ca 0.00 -1.17 0.05 0.00 1.00 0.00 0.00 64.86 64.73 3ehu h ILE -217Cb 0.45 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 37.39 3ehu h ILE -217CO 0.00 0.42 -0.10 -0.65 0.00 0.00 0.00 178.15 177.82 3ehu h PRO -216N 0.87 -0.07 -0.65 2.37 0.11 -1.77 0.26 132.00 133.11 3ehu h PRO -216Ca 0.15 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.21 3ehu h PRO -216Cb 0.59 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.68 3ehu h PRO -216CO 0.04 -0.05 0.21 0.00 -0.21 0.00 0.00 178.00 177.99 3ehu h ALA -215N 1.10 1.15 -0.53 -0.75 0.00 -1.83 -1.40 119.26 117.01 3ehu h ALA -215Ca 0.11 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3ehu h ALA -215Cb 0.24 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3ehu h ALA -215CO -0.25 0.59 0.14 1.25 0.00 0.00 0.00 179.25 180.98 3ehu h LEU -214N 0.95 0.79 -1.15 0.00 5.85 -1.20 -1.37 115.31 119.19 3ehu h LEU -214Ca 0.21 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.72 3ehu h LEU -214Cb 0.26 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 3ehu h LEU -214CO -0.01 0.81 0.58 -0.78 -0.34 0.00 0.00 178.44 178.70 3ehu h ASP -213N 0.74 0.98 -0.42 1.25 3.58 -0.17 -1.12 116.42 121.26 3ehu h ASP -213Ca 0.17 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.58 3ehu h ASP -213Cb 0.33 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.11 3ehu h ASP -213CO 0.00 0.70 0.21 0.50 -2.88 0.00 0.00 179.24 177.77 3ehu h LYS -212N 1.16 0.60 -0.85 0.28 3.64 -0.87 0.21 116.57 120.74 3ehu h LYS -212Ca 0.32 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.60 3ehu h LYS -212Cb -0.10 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.57 3ehu h LYS -212CO -0.08 0.52 0.46 0.93 -2.27 0.00 0.00 179.45 179.01 3ehu h GLU -211N 0.54 1.19 -0.01 1.90 5.08 -0.93 -3.21 114.58 119.15 3ehu h GLU -211Ca 0.14 -0.14 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 3ehu h GLU -211Cb 0.11 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 3ehu h GLU -211CO -0.02 0.88 -0.78 -0.07 -1.00 0.00 0.00 179.01 178.02 3ehu h LEU -210N 1.18 0.11 -1.28 1.33 3.38 -0.93 -3.23 115.31 115.87 3ehu h LEU -210Ca 0.30 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 3ehu h LEU -210Cb 0.04 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3ehu h LEU -210CO -0.05 0.84 -0.06 0.11 0.09 0.00 0.00 178.44 179.37 3ehu h LYS -209N 0.05 0.42 0.00 1.13 1.79 -0.51 0.20 116.57 119.65 3ehu h LYS -209Ca -0.02 -0.09 -0.00 0.00 -2.18 0.00 0.00 60.65 58.35 3ehu h LYS -209Cb 1.36 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.95 3ehu h LYS -209CO 0.11 0.49 -0.02 0.00 -1.08 0.00 0.00 179.45 178.95 3ehu h ALA -208N 1.55 1.07 -0.36 3.86 0.00 -1.58 -0.45 119.26 123.36 3ehu h ALA -208Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3ehu h ALA -208Cb 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3ehu h ALA -208CO 0.02 0.02 0.00 1.63 0.00 0.00 0.00 179.25 180.92 3ehu n LYS -207N -3.21 2.42 -2.61 0.00 5.02 -0.71 -4.96 118.16 114.11 3ehu n LYS -207Ca -0.02 -2.14 -0.10 0.00 -2.02 0.00 0.00 58.31 54.03 3ehu n LYS -207Cb 0.16 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.68 3ehu n LYS -207CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ehu n GLY -206N 1.46 0.13 3.56 0.72 0.00 -0.18 -5.04 105.19 105.85 3ehu n GLY -206Ca 0.19 -0.37 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 3ehu n GLY -206CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ehu s LYS -205N -5.06 1.90 0.15 1.61 -0.14 0.63 -4.97 119.74 113.86 3ehu s LYS -205Ca 0.14 -2.13 0.05 0.00 -1.36 0.00 0.00 55.97 52.67 3ehu s LYS -205Cb -0.06 -1.03 -0.04 0.00 -1.68 0.00 0.00 37.83 35.02 3ehu s LYS -205CO 0.17 -0.30 -0.11 -1.54 -0.76 0.00 0.00 175.35 172.81 3ehu s SER -204N -3.64 1.91 -0.02 2.83 1.04 -0.50 -2.27 113.70 113.05 3ehu s SER -204Ca 0.25 -0.96 -0.21 0.00 0.48 0.00 0.00 55.95 55.51 3ehu s SER -204Cb 0.05 -0.04 -0.24 0.00 0.10 0.00 0.00 66.02 65.90 3ehu s SER -204CO 0.13 -0.27 1.05 0.00 0.98 0.00 0.00 173.24 175.13 3ehu h ALA -203N 2.93 0.05 -2.82 5.32 0.00 -1.85 -0.62 119.26 122.26 3ehu h ALA -203Ca -0.37 -0.55 -0.15 0.00 0.00 0.00 0.00 54.91 53.83 3ehu h ALA -203Cb 1.20 0.03 -0.28 0.00 0.00 0.00 0.00 17.79 18.74 3ehu h ALA -203CO 0.60 0.27 -0.38 -1.17 0.00 0.00 0.00 179.25 178.57 3ehu s LEU -202N -8.34 0.16 -0.03 0.00 2.96 -1.26 -1.10 118.68 111.06 3ehu s LEU -202Ca -0.14 0.72 -0.00 0.00 -0.22 0.00 0.00 54.13 54.49 3ehu s LEU -202Cb 0.02 1.07 0.03 0.00 0.50 0.00 0.00 46.19 47.81 3ehu s LEU -202CO 0.80 -0.18 0.02 -0.04 -1.32 0.00 0.00 176.35 175.63 3ehu s MET -201N 1.30 0.14 0.22 1.98 -1.94 -0.80 -4.79 119.30 115.40 3ehu s MET -201Ca -0.09 0.16 -0.07 0.00 -1.71 0.00 0.00 55.69 53.98 3ehu s MET -201Cb -0.09 -0.42 -0.02 0.00 2.01 0.00 0.00 34.83 36.30 3ehu s MET -201CO -0.10 -0.18 0.30 -0.59 -0.01 0.00 0.00 175.02 174.44 3ehu s PHE -200N 1.25 0.77 -0.33 -0.03 -0.71 -1.26 -4.22 117.98 113.44 3ehu s PHE -200Ca -0.07 -1.06 -0.28 0.00 -1.04 0.00 0.00 56.93 54.49 3ehu s PHE -200Cb -0.13 -0.19 -0.03 0.00 -1.21 0.00 0.00 43.02 41.46 3ehu s PHE -200CO -0.03 -0.82 1.96 1.21 -1.34 0.00 0.00 175.22 176.21 3ehu s ASN -199N -3.09 5.63 0.00 1.98 3.84 -1.26 -4.65 114.94 117.39 3ehu s ASN -199Ca 0.31 1.38 0.27 0.00 0.21 0.00 0.00 52.86 55.02 3ehu s ASN -199Cb 0.03 -2.52 0.87 0.00 -0.55 0.00 0.00 41.25 39.08 3ehu s ASN -199CO 0.11 -1.90 1.64 0.18 -2.79 0.00 0.00 177.10 174.33 3ehu n LEU -198N 11.22 1.80 -0.35 3.21 4.77 -0.71 -4.05 117.00 132.89 3ehu n LEU -198Ca 0.25 -0.62 0.12 0.00 -0.03 0.00 0.00 56.01 55.73 3ehu n LEU -198Cb 0.47 -0.02 0.17 0.00 -2.33 0.00 0.00 43.42 41.72 3ehu n LEU -198CO 0.68 0.31 0.45 0.00 -1.33 0.00 0.00 177.39 177.50 3ehu n GLN -197N 0.40 0.96 -4.08 3.23 1.13 -1.25 -4.61 117.38 113.16 3ehu n GLN -197Ca 0.18 -0.70 -0.29 0.00 -1.94 0.00 0.00 57.00 54.25 3ehu n GLN -197Cb 0.40 -1.49 -0.17 0.00 0.11 0.00 0.00 30.24 29.10 3ehu n GLN -197CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3ehu s GLU -196N -2.53 2.14 0.53 -1.09 0.41 -1.26 -5.02 118.70 111.89 3ehu s GLU -196Ca 0.20 -0.50 0.35 0.00 -0.41 0.00 0.00 54.97 54.61 3ehu s GLU -196Cb 0.18 -1.97 1.68 0.00 -1.78 0.00 0.00 34.13 32.25 3ehu s GLU -196CO 0.57 -0.21 2.05 -1.00 -0.49 0.00 0.00 175.26 176.18 3ehu h PRO -195N 7.95 0.00 -1.04 0.39 0.13 -1.89 -2.55 132.00 134.99 3ehu h PRO -195Ca -0.35 0.00 0.27 0.00 -0.87 0.00 0.00 66.00 65.04 3ehu h PRO -195Cb 1.14 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.17 3ehu h PRO -195CO 0.50 0.00 0.65 -0.92 -0.23 0.00 0.00 178.00 178.00 3ehu h TYR -194N 0.00 0.75 0.00 1.56 3.20 -1.95 -0.28 116.97 120.26 3ehu h TYR -194Ca 0.00 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.75 3ehu h TYR -194Cb 0.25 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 3ehu h TYR -194CO 0.00 0.05 -1.02 0.74 -1.64 0.00 0.00 178.16 176.29 3ehu h PHE -193N 0.44 0.00 0.00 -3.82 0.04 -1.71 -3.32 116.94 108.56 3ehu h PHE -193Ca 0.62 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 61.25 3ehu h PHE -193Cb 1.46 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.58 3ehu h PHE -193CO -0.00 0.58 -1.73 2.41 -0.60 0.00 0.00 178.31 178.97 3ehu n THR -192N -3.06 0.81 -0.32 -1.55 -1.04 -0.93 -4.38 114.28 103.81 3ehu n THR -192Ca -0.04 -0.65 0.16 0.00 -2.04 0.00 0.00 64.05 61.48 3ehu n THR -192Cb 0.81 -0.41 0.35 0.00 -1.82 0.00 0.00 70.33 69.25 3ehu n THR -192CO 0.00 0.00 0.00 -0.25 -0.64 0.00 0.00 175.07 174.18 3ehu h TRP -191N 0.00 0.76 -0.49 -1.42 2.91 -1.16 -1.82 115.95 114.73 3ehu h TRP -191Ca -0.17 0.04 0.05 0.00 1.13 0.00 0.00 58.89 59.94 3ehu h TRP -191Cb 1.47 -0.19 -0.03 0.00 -0.51 0.00 0.00 29.16 29.91 3ehu h TRP -191CO 0.00 -0.06 0.33 -1.35 -1.03 0.00 0.00 178.44 176.33 3ehu h PRO -190N 0.42 0.45 0.06 2.65 0.11 -1.76 0.82 132.00 134.75 3ehu h PRO -190Ca 0.61 -0.03 -0.26 0.00 0.11 0.00 0.00 66.00 66.43 3ehu h PRO -190Cb 1.21 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 32.23 3ehu h PRO -190CO -0.54 0.30 -1.10 1.25 -0.21 0.00 0.00 178.00 177.70 3ehu h LEU -189N 0.47 0.61 -0.62 2.35 5.85 -1.64 -2.22 115.31 120.11 3ehu h LEU -189Ca 0.21 -0.55 -0.05 0.00 0.84 0.00 0.00 57.88 58.33 3ehu h LEU -189Cb 0.24 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 3ehu h LEU -189CO -0.05 1.37 0.18 0.40 -0.34 0.00 0.00 178.44 180.00 3ehu h ILE -188N 0.21 1.25 0.00 4.05 2.04 -1.08 -2.90 117.51 121.07 3ehu h ILE -188Ca -0.12 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 64.87 3ehu h ILE -188Cb 1.77 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 38.47 3ehu h ILE -188CO 0.19 0.33 0.00 0.00 0.00 0.00 0.00 178.15 178.67 3ehu h ALA -187N 1.06 1.00 0.08 1.87 0.00 -0.93 -2.87 119.26 119.47 3ehu h ALA -187Ca 0.20 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.13 3ehu h ALA -187Cb 0.31 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 3ehu h ALA -187CO -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 179.25 178.90 3ehu h ALA -186N 2.18 -0.56 -0.47 0.00 0.00 -1.25 -2.35 119.26 116.81 3ehu h ALA -186Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3ehu h ALA -186Cb 0.69 0.58 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3ehu h ALA -186CO 0.00 -0.88 0.00 -3.47 0.00 0.00 0.00 179.25 174.90 3ehu n ASP -185N -5.43 3.83 0.00 0.00 2.03 -1.26 -4.73 116.55 111.00 3ehu n ASP -185Ca -0.06 -2.41 0.00 0.00 0.52 0.00 0.00 54.79 52.84 3ehu n ASP -185Cb 0.34 -0.53 0.00 0.00 -0.72 0.00 0.00 41.12 40.21 3ehu n ASP -185CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3ehu n GLY -184N 0.82 0.12 3.76 0.27 0.00 -0.89 -4.04 105.19 105.23 3ehu n GLY -184Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 3ehu n GLY -184CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ehu s GLY -183N -0.22 2.90 0.16 -0.02 0.00 -1.08 -4.67 107.32 104.40 3ehu s GLY -183Ca 0.00 1.38 -0.10 0.00 0.00 0.00 0.00 44.72 46.00 3ehu s GLY -183CO 0.00 1.95 0.30 -2.52 0.00 0.00 0.00 173.10 172.83 3ehu s TYR -182N -1.25 0.32 0.00 1.90 -0.85 -0.49 -4.40 117.35 112.57 3ehu s TYR -182Ca 0.64 -0.69 0.00 0.00 -0.52 0.00 0.00 57.07 56.50 3ehu s TYR -182Cb -0.41 -0.01 0.00 0.00 0.38 0.00 0.00 41.96 41.91 3ehu s TYR -182CO 0.52 -0.72 0.00 0.00 -1.52 0.00 0.00 175.55 173.83 3ehu n ALA -181N -0.21 0.00 -3.34 9.51 0.00 -1.26 -1.92 120.51 123.29 3ehu n ALA -181Ca -0.09 -0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.06 3ehu n ALA -181Cb 0.63 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.91 3ehu n ALA -181CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3ehu s PHE -180N -0.00 2.16 0.14 0.00 0.08 -1.26 -2.30 117.98 116.80 3ehu s PHE -180Ca 0.00 -0.88 -0.31 0.00 0.12 0.00 0.00 56.93 55.86 3ehu s PHE -180Cb 0.00 -1.48 -0.10 0.00 -0.57 0.00 0.00 43.02 40.87 3ehu s PHE -180CO 0.00 -0.38 1.65 0.21 -0.10 0.00 0.00 175.22 176.60 3ehu s LYS -179N 0.50 4.19 -0.21 0.44 2.20 -1.00 -4.76 119.74 121.09 3ehu s LYS -179Ca -0.16 2.42 -0.21 0.00 -0.36 0.00 0.00 55.97 57.66 3ehu s LYS -179Cb -0.17 -3.32 -0.02 0.00 -1.51 0.00 0.00 37.83 32.81 3ehu s LYS -179CO 0.06 -0.69 0.64 -0.47 -0.36 0.00 0.00 175.35 174.53 3ehu s TYR -178N 1.75 3.35 -0.06 4.03 5.04 -1.26 -0.17 117.35 130.02 3ehu s TYR -178Ca 0.73 0.92 0.00 0.00 -2.44 0.00 0.00 57.07 56.28 3ehu s TYR -178Cb -0.44 -2.83 0.02 0.00 0.35 0.00 0.00 41.96 39.07 3ehu s TYR -178CO 0.32 -0.23 -0.04 -1.21 -1.34 0.00 0.00 175.55 173.05 3ehu s GLU -177N 2.13 0.93 -0.17 4.97 0.41 0.73 -4.96 118.70 122.74 3ehu s GLU -177Ca 0.29 -0.08 -0.10 0.00 -0.41 0.00 0.00 54.97 54.66 3ehu s GLU -177Cb -0.16 -1.04 0.02 0.00 -1.78 0.00 0.00 34.13 31.17 3ehu s GLU -177CO 0.10 -0.17 0.21 0.09 -0.49 0.00 0.00 175.26 175.00 3ehu n ASN -176N 4.51 -1.73 -0.07 -0.19 3.02 -1.26 -0.04 115.26 119.50 3ehu n ASN -176Ca -0.17 -0.12 -0.01 0.00 -0.03 0.00 0.00 54.58 54.25 3ehu n ASN -176Cb 0.50 -0.52 -0.00 0.00 -0.61 0.00 0.00 39.78 39.15 3ehu n ASN -176CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ehu n GLY -175N -0.24 0.16 3.15 7.41 0.00 -1.26 -4.95 105.19 109.46 3ehu n GLY -175Ca -0.05 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 3ehu n GLY -175CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ehu s LYS -174N -1.83 0.39 -0.43 1.61 -2.85 0.94 -5.13 119.74 112.44 3ehu s LYS -174Ca 0.00 0.15 -0.25 0.00 -1.00 0.00 0.00 55.97 54.87 3ehu s LYS -174Cb 0.00 0.18 0.02 0.00 -2.06 0.00 0.00 37.83 35.97 3ehu s LYS -174CO 0.00 -0.07 0.87 0.71 0.10 0.00 0.00 175.35 176.96 3ehu s TYR -173N -0.35 2.98 -0.55 1.78 2.02 -1.26 -0.19 117.35 121.78 3ehu s TYR -173Ca -0.05 0.40 -0.26 0.00 -0.37 0.00 0.00 57.07 56.79 3ehu s TYR -173Cb -0.03 -3.79 -0.04 0.00 -0.40 0.00 0.00 41.96 37.70 3ehu s TYR -173CO 0.01 -0.99 2.12 0.34 -1.57 0.00 0.00 175.55 175.46 3ehu s ASP -172N 2.13 4.88 0.43 2.29 -1.08 0.76 -4.84 116.67 121.24 3ehu s ASP -172Ca 0.35 0.69 0.22 0.00 -0.52 0.00 0.00 52.55 53.29 3ehu s ASP -172Cb -0.11 -2.52 0.93 0.00 -1.46 0.00 0.00 42.92 39.76 3ehu s ASP -172CO 0.23 -2.62 1.84 0.16 0.52 0.00 0.00 175.17 175.31 3ehu h ILE -171N 7.26 0.71 -0.00 4.11 3.07 -1.94 -2.66 117.51 128.06 3ehu h ILE -171Ca -0.25 -1.16 -0.14 0.00 1.55 0.00 0.00 64.86 64.86 3ehu h ILE -171Cb 1.21 1.73 -0.02 0.00 -0.27 0.00 0.00 36.82 39.48 3ehu h ILE -171CO 1.19 0.26 -0.66 0.11 -1.05 0.00 0.00 178.15 178.00 3ehu h LYS -170N 0.00 0.01 -4.79 0.16 1.57 -1.97 -3.40 116.57 108.16 3ehu h LYS -170Ca -0.00 -0.01 -0.71 0.00 -1.87 0.00 0.00 60.65 58.06 3ehu h LYS -170Cb 0.71 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 32.83 3ehu h LYS -170CO 0.03 0.67 0.69 0.34 -0.57 0.00 0.00 179.45 180.62 3ehu s ASP -169N -6.84 6.66 -0.12 0.86 -1.08 -1.00 -5.01 116.67 110.14 3ehu s ASP -169Ca -0.01 -2.18 -0.07 0.00 -0.52 0.00 0.00 52.55 49.77 3ehu s ASP -169Cb 0.12 -2.36 -0.04 0.00 -1.46 0.00 0.00 42.92 39.18 3ehu s ASP -169CO 0.77 -0.96 0.13 -0.69 0.52 0.00 0.00 175.17 174.94 3ehu s VAL -168N 2.18 5.43 -0.36 1.11 1.01 -1.26 -2.39 120.40 126.12 3ehu s VAL -168Ca 0.30 0.18 0.06 0.00 0.00 0.00 0.00 61.98 62.52 3ehu s VAL -168Cb -0.06 -3.36 0.51 0.00 0.00 0.00 0.00 36.38 33.46 3ehu s VAL -168CO -0.09 0.61 1.54 0.61 0.00 0.00 0.00 175.10 177.77 3ehu n GLY -167N 2.04 5.27 0.27 4.51 0.00 -0.81 -4.58 105.19 111.88 3ehu n GLY -167Ca -0.20 -1.62 0.14 0.00 0.00 0.00 0.00 46.02 44.34 3ehu n GLY -167CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3ehu n VAL -166N -1.03 0.00 -1.77 1.61 0.24 -1.14 -1.39 118.33 114.86 3ehu n VAL -166Ca 0.42 -0.14 0.05 0.00 -2.04 0.00 0.00 64.34 62.63 3ehu n VAL -166Cb 1.03 0.27 0.08 0.00 -1.47 0.00 0.00 33.84 33.76 3ehu n VAL -166CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3ehu n ASP -165N -0.52 1.17 -4.42 -1.34 2.03 -1.26 -4.68 116.55 107.52 3ehu n ASP -165Ca 0.15 -2.64 -0.24 0.00 0.52 0.00 0.00 54.79 52.58 3ehu n ASP -165Cb 0.32 -0.34 0.14 0.00 -0.72 0.00 0.00 41.12 40.52 3ehu n ASP -165CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3ehu n ASN -164N -0.50 1.10 -0.33 1.67 0.23 -1.26 -4.87 115.26 111.31 3ehu n ASN -164Ca 0.09 -2.01 0.03 0.00 -0.53 0.00 0.00 54.58 52.16 3ehu n ASN -164Cb 0.77 -0.72 0.21 0.00 -2.08 0.00 0.00 39.78 37.96 3ehu n ASN -164CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3ehu h ALA -163N -0.85 1.46 -0.33 -2.53 0.00 -1.94 -1.71 119.26 113.35 3ehu h ALA -163Ca -0.35 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 3ehu h ALA -163Cb 1.22 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3ehu h ALA -163CO 0.35 0.42 -0.04 0.78 0.00 0.00 0.00 179.25 180.75 3ehu h GLY -162N 1.11 0.67 1.30 0.00 0.00 -1.85 -0.66 103.07 103.63 3ehu h GLY -162Ca 0.39 -0.53 -0.10 0.00 0.00 0.00 0.00 47.33 47.10 3ehu h GLY -162CO -0.14 0.48 -0.14 0.00 0.00 0.00 0.00 176.54 176.74 3ehu h ALA -161N 0.83 0.92 -0.32 3.60 0.00 -1.56 -1.77 119.26 120.97 3ehu h ALA -161Ca 0.09 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 3ehu h ALA -161Cb 0.52 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3ehu h ALA -161CO 0.03 0.62 0.07 0.87 0.00 0.00 0.00 179.25 180.83 3ehu h LYS -160N 0.73 0.52 -0.83 0.00 1.57 -1.25 -2.20 116.57 115.11 3ehu h LYS -160Ca 0.12 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3ehu h LYS -160Cb 0.65 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.85 3ehu h LYS -160CO 0.05 0.60 0.47 0.00 -0.57 0.00 0.00 179.45 180.00 3ehu h ALA -159N 0.90 1.06 -0.07 3.86 0.00 -1.00 0.09 119.26 124.11 3ehu h ALA -159Ca 0.10 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3ehu h ALA -159Cb 0.32 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3ehu h ALA -159CO 0.00 0.55 0.02 0.78 0.00 0.00 0.00 179.25 180.60 3ehu h GLY -158N 1.15 0.11 1.15 0.00 0.00 -1.25 -1.73 103.07 102.51 3ehu h GLY -158Ca 0.29 -0.07 -0.15 0.00 0.00 0.00 0.00 47.33 47.40 3ehu h GLY -158CO -0.05 0.07 -0.33 -2.00 0.00 0.00 0.00 176.54 174.23 3ehu h LEU -157N -0.11 0.99 -0.78 3.11 5.85 -1.32 -2.57 115.31 120.48 3ehu h LEU -157Ca 0.02 -0.43 0.06 0.00 0.84 0.00 0.00 57.88 58.37 3ehu h LEU -157Cb 0.24 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 40.94 3ehu h LEU -157CO 0.00 1.22 0.47 0.74 -0.34 0.00 0.00 178.44 180.53 3ehu h THR -156N 0.78 1.03 -0.59 1.05 2.02 -0.96 0.10 112.91 116.34 3ehu h THR -156Ca 0.08 -0.30 0.03 0.00 0.77 0.00 0.00 66.41 66.98 3ehu h THR -156Cb 0.91 0.08 -0.04 0.00 -1.74 0.00 0.00 68.15 67.37 3ehu h THR -156CO 0.09 0.16 0.36 0.15 0.37 0.00 0.00 175.52 176.65 3ehu h PHE -155N 0.87 0.68 -0.41 3.16 3.57 -1.10 -0.84 116.94 122.87 3ehu h PHE -155Ca 0.34 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.81 3ehu h PHE -155Cb 0.15 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 3ehu h PHE -155CO -0.05 0.39 0.08 1.25 -2.23 0.00 0.00 178.31 177.75 3ehu h LEU -154N 0.72 0.65 -1.16 0.59 5.85 -0.91 -1.92 115.31 119.12 3ehu h LEU -154Ca 0.24 -0.25 0.05 0.00 0.84 0.00 0.00 57.88 58.75 3ehu h LEU -154Cb 0.02 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.82 3ehu h LEU -154CO -0.10 0.73 0.57 0.58 -0.34 0.00 0.00 178.44 179.89 3ehu h VAL -153N 0.54 1.12 -0.47 1.05 2.07 -0.63 -2.68 116.25 117.25 3ehu h VAL -153Ca 0.13 -0.36 -0.11 0.00 0.82 0.00 0.00 66.70 67.18 3ehu h VAL -153Cb 0.35 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 3ehu h VAL -153CO 0.01 0.19 -0.13 0.44 0.02 0.00 0.00 177.57 178.10 3ehu h ASP -152N 1.06 0.88 -0.62 0.57 3.32 -0.75 0.12 116.42 120.99 3ehu h ASP -152Ca 0.36 -0.28 0.05 0.00 0.02 0.00 0.00 57.03 57.18 3ehu h ASP -152Cb 0.09 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.35 3ehu h ASP -152CO -0.12 1.01 0.35 -0.07 -1.72 0.00 0.00 179.24 178.69 3ehu h LEU -151N 0.78 0.52 -0.13 1.55 3.38 -1.03 -1.39 115.31 118.98 3ehu h LEU -151Ca 0.12 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 3ehu h LEU -151Cb 0.65 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 3ehu h LEU -151CO 0.05 0.34 -0.05 0.40 0.09 0.00 0.00 178.44 179.27 3ehu h ILE -150N 0.65 1.31 -0.47 1.22 2.04 -1.22 0.44 117.51 121.48 3ehu h ILE -150Ca 0.27 -1.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.08 3ehu h ILE -150Cb 0.15 1.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 3ehu h ILE -150CO -0.16 0.30 0.26 0.11 0.00 0.00 0.00 178.15 178.65 3ehu h LYS -149N -0.06 0.64 -0.23 2.37 1.57 -0.86 -0.99 116.57 119.00 3ehu h LYS -149Ca 0.03 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3ehu h LYS -149Cb 0.50 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.67 3ehu h LYS -149CO 0.02 0.47 0.00 0.09 -0.57 0.00 0.00 179.45 179.46 3ehu n ASN -148N -4.42 1.35 -2.69 0.86 5.03 -0.53 -4.94 115.26 109.92 3ehu n ASN -148Ca 0.04 -1.91 -0.19 0.00 0.87 0.00 0.00 54.58 53.39 3ehu n ASN -148Cb 0.10 -0.15 0.04 0.00 -1.02 0.00 0.00 39.78 38.75 3ehu n ASN -148CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3ehu n LYS -147N 0.21 -4.95 0.00 3.52 4.76 -0.38 -4.91 118.16 116.40 3ehu n LYS -147Ca 0.10 0.72 0.11 0.00 -2.87 0.00 0.00 58.31 56.37 3ehu n LYS -147Cb 0.23 -5.25 -0.09 0.00 -1.84 0.00 0.00 35.03 28.08 3ehu n LYS -147CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 3ehu n HIS -146N -4.38 0.07 -3.85 2.13 8.25 0.15 -4.95 115.22 112.63 3ehu n HIS -146Ca -0.05 0.02 -0.11 0.00 -0.26 0.00 0.00 57.72 57.32 3ehu n HIS -146Cb 0.58 -0.26 -0.09 0.00 1.12 0.00 0.00 29.99 31.34 3ehu n HIS -146CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3ehu s MET -145N -3.20 0.60 -0.15 -0.41 -1.94 -1.16 -4.67 119.30 108.36 3ehu s MET -145Ca 0.02 -0.50 -0.10 0.00 -1.71 0.00 0.00 55.69 53.40 3ehu s MET -145Cb 0.15 0.25 -0.05 0.00 2.01 0.00 0.00 34.83 37.19 3ehu s MET -145CO 0.86 -0.16 0.18 -0.80 -0.01 0.00 0.00 175.02 175.09 3ehu s ASN -144N -1.73 6.36 0.49 3.03 0.01 -1.26 -4.29 114.94 117.56 3ehu s ASN -144Ca -0.10 0.43 0.33 0.00 -0.71 0.00 0.00 52.86 52.80 3ehu s ASN -144Cb -0.04 -2.11 1.54 0.00 0.41 0.00 0.00 41.25 41.04 3ehu s ASN -144CO -0.01 0.27 1.99 0.00 -1.51 0.00 0.00 177.10 177.84 3ehu h ALA -143N 5.86 1.00 -0.01 0.60 0.00 -1.93 -2.70 119.26 122.08 3ehu h ALA -143Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3ehu h ALA -143Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3ehu h ALA -143CO 0.68 0.00 -0.07 -0.25 0.00 0.00 0.00 179.25 179.60 3ehu n ASP -142N -2.80 0.79 -4.69 0.00 8.00 -1.26 -4.86 116.55 111.73 3ehu n ASP -142Ca -0.00 -1.00 -0.42 0.00 0.71 0.00 0.00 54.79 54.08 3ehu n ASP -142Cb 0.20 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.26 3ehu n ASP -142CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3ehu s THR -141N -2.24 2.61 0.00 -3.53 2.01 -1.02 -4.97 115.64 108.50 3ehu s THR -141Ca 0.35 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.45 3ehu s THR -141Cb 0.21 -3.07 0.00 0.00 0.01 0.00 0.00 72.50 69.65 3ehu s THR -141CO 0.42 -0.00 0.00 -0.90 -0.69 0.00 0.00 174.62 173.45 3ehu n ASP -140N 5.69 1.55 -0.26 3.53 5.75 -1.26 -1.73 116.55 129.82 3ehu n ASP -140Ca 0.17 -0.64 -0.07 0.00 -0.01 0.00 0.00 54.79 54.24 3ehu n ASP -140Cb 0.38 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.52 3ehu n ASP -140CO 0.00 0.00 0.00 0.10 -0.11 0.00 0.00 177.20 177.19 3ehu h TYR -139N 0.50 1.08 0.09 2.11 -0.00 -1.93 -2.92 116.97 115.90 3ehu h TYR -139Ca 0.00 -0.08 -0.25 0.00 0.00 0.00 0.00 58.73 58.39 3ehu h TYR -139Cb 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 36.73 36.41 3ehu h TYR -139CO 0.00 0.84 -1.14 0.66 -0.00 0.00 0.00 178.16 178.52 3ehu h SER -138N 1.02 0.40 -0.17 0.10 4.64 -1.98 -1.43 113.55 116.12 3ehu h SER -138Ca 0.24 -0.40 -0.06 0.00 -0.47 0.00 0.00 61.79 61.10 3ehu h SER -138Cb 0.22 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3ehu h SER -138CO -0.02 1.28 -0.11 0.40 -0.87 0.00 0.00 176.83 177.51 3ehu h ILE -137N 0.10 1.32 0.04 0.95 2.04 -1.96 -1.97 117.51 118.03 3ehu h ILE -137Ca -0.11 -1.21 -0.00 0.00 1.00 0.00 0.00 64.86 64.54 3ehu h ILE -137Cb 1.85 1.74 0.00 0.00 -0.74 0.00 0.00 36.82 39.66 3ehu h ILE -137CO 0.19 0.36 -0.02 0.00 0.00 0.00 0.00 178.15 178.68 3ehu h ALA -136N 0.66 -0.06 -0.60 1.87 0.00 -1.53 -0.65 119.26 118.95 3ehu h ALA -136Ca 0.04 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.94 3ehu h ALA -136Cb 0.61 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 3ehu h ALA -136CO 0.03 -0.48 0.32 1.49 0.00 0.00 0.00 179.25 180.61 3ehu h GLU -135N -0.16 0.60 -0.17 0.00 4.81 -1.31 -2.10 114.58 116.24 3ehu h GLU -135Ca -0.01 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 3ehu h GLU -135Cb 0.14 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 3ehu h GLU -135CO 0.01 0.39 0.04 0.00 -0.73 0.00 0.00 179.01 178.72 3ehu h ALA -134N 1.32 0.23 -0.92 2.92 0.00 -1.21 -2.42 119.26 119.18 3ehu h ALA -134Ca 0.27 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.07 3ehu h ALA -134Cb 0.16 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 3ehu h ALA -134CO -0.17 -0.13 0.60 0.00 0.00 0.00 0.00 179.25 179.55 3ehu h ALA -133N 0.84 1.45 -0.24 0.00 0.00 -0.97 0.37 119.26 120.71 3ehu h ALA -133Ca 0.05 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3ehu h ALA -133Cb 0.27 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3ehu h ALA -133CO 0.00 0.45 0.02 0.35 0.00 0.00 0.00 179.25 180.07 3ehu h PHE -132N 1.11 0.44 -0.28 0.00 3.04 -1.32 -0.48 116.94 119.47 3ehu h PHE -132Ca 0.37 -0.07 -0.04 0.00 3.98 0.00 0.00 57.97 62.22 3ehu h PHE -132Cb 0.07 -0.12 -0.02 0.00 2.56 0.00 0.00 35.95 38.45 3ehu h PHE -132CO -0.00 0.55 0.01 -0.91 -2.02 0.00 0.00 178.31 175.94 3ehu h ASN -131N 0.20 0.38 -0.11 0.41 2.35 -0.90 -2.58 115.58 115.32 3ehu h ASN -131Ca 0.07 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3ehu h ASN -131Cb 0.36 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.63 3ehu h ASN -131CO 0.01 0.44 0.00 0.29 -1.65 0.00 0.00 177.43 176.52 3ehu n LYS -130N -4.32 1.42 -1.86 0.81 4.76 0.07 -4.82 118.16 114.22 3ehu n LYS -130Ca 0.01 -0.63 -0.11 0.00 -2.87 0.00 0.00 58.31 54.71 3ehu n LYS -130Cb 0.21 -1.31 -0.02 0.00 -1.84 0.00 0.00 35.03 32.07 3ehu n LYS -130CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ehu n GLY -129N 0.95 0.43 0.09 0.72 0.00 -0.97 -4.93 105.19 101.47 3ehu n GLY -129Ca 0.14 -0.47 0.04 0.00 0.00 0.00 0.00 46.02 45.72 3ehu n GLY -129CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ehu n GLU -128N -2.30 0.63 -4.78 1.61 1.02 -0.20 -4.90 120.64 111.72 3ehu n GLU -128Ca -0.12 0.13 -0.25 0.00 -0.02 0.00 0.00 57.16 56.90 3ehu n GLU -128Cb 0.50 -1.76 -0.15 0.00 -0.02 0.00 0.00 31.44 30.02 3ehu n GLU -128CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 3ehu s THR -127N -3.08 1.40 -0.24 2.62 -1.32 -1.13 -1.41 115.64 112.49 3ehu s THR -127Ca -0.03 -0.83 0.22 0.00 -1.21 0.00 0.00 61.69 59.84 3ehu s THR -127Cb 0.09 -1.18 0.25 0.00 -1.51 0.00 0.00 72.50 70.16 3ehu s THR -127CO 0.82 0.34 1.62 0.00 -2.21 0.00 0.00 174.62 175.19 3ehu h ALA -126N 5.53 0.91 -2.60 11.08 0.00 -1.00 -3.43 119.26 129.75 3ehu h ALA -126Ca -0.38 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.26 3ehu h ALA -126Cb 1.15 -0.03 -0.18 0.00 0.00 0.00 0.00 17.79 18.74 3ehu h ALA -126CO 0.47 0.22 -0.41 -1.64 0.00 0.00 0.00 179.25 177.89 3ehu s MET -125N -3.23 0.65 0.20 0.00 -1.94 -0.26 -0.28 119.30 114.44 3ehu s MET -125Ca 0.05 -0.59 -0.08 0.00 -1.71 0.00 0.00 55.69 53.36 3ehu s MET -125Cb 0.07 0.27 -0.02 0.00 2.01 0.00 0.00 34.83 37.16 3ehu s MET -125CO 0.68 -0.18 0.31 -0.08 -0.01 0.00 0.00 175.02 175.74 3ehu s THR -124N -2.34 0.03 -0.16 2.05 -1.32 0.22 -1.91 115.64 112.21 3ehu s THR -124Ca -0.07 -1.56 0.02 0.00 -1.21 0.00 0.00 61.69 58.87 3ehu s THR -124Cb -0.02 -2.14 0.02 0.00 -1.51 0.00 0.00 72.50 68.84 3ehu s THR -124CO -0.03 -0.12 -0.21 -0.63 -2.21 0.00 0.00 174.62 171.42 3ehu s ILE -123N -4.04 2.07 0.26 5.08 1.01 -1.26 -0.77 121.20 123.55 3ehu s ILE -123Ca 0.25 -0.96 -0.20 0.00 0.00 0.00 0.00 60.65 59.74 3ehu s ILE -123Cb 0.03 -1.84 0.06 0.00 0.01 0.00 0.00 42.46 40.71 3ehu s ILE -123CO 0.06 0.54 0.90 0.21 0.00 0.00 0.00 174.94 176.66 3ehu s ASN -122N 1.07 -0.05 0.57 3.58 3.84 -1.03 -4.71 114.94 118.21 3ehu s ASN -122Ca -0.01 -0.80 0.06 0.00 0.21 0.00 0.00 52.86 52.33 3ehu s ASN -122Cb -0.14 0.65 0.08 0.00 -0.55 0.00 0.00 41.25 41.28 3ehu s ASN -122CO -0.08 -1.27 0.79 -0.83 -2.79 0.00 0.00 177.10 172.92 3ehu s GLY -121N -3.16 1.79 0.44 1.21 0.00 -1.26 -1.67 107.32 104.66 3ehu s GLY -121Ca 0.17 -1.90 0.10 0.00 0.00 0.00 0.00 44.72 43.09 3ehu s GLY -121CO 0.07 -1.49 2.08 -2.55 0.00 0.00 0.00 173.10 171.21 3ehu h PRO -120N 0.12 0.40 -0.52 2.90 0.11 -1.84 -2.46 132.00 130.71 3ehu h PRO -120Ca -0.34 -0.02 0.15 0.00 0.11 0.00 0.00 66.00 65.89 3ehu h PRO -120Cb 1.28 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3ehu h PRO -120CO 0.42 0.27 0.37 0.11 -0.21 0.00 0.00 178.00 178.96 3ehu h TRP -119N 0.41 0.01 0.00 0.65 0.09 -1.80 -1.36 115.95 113.96 3ehu h TRP -119Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.10 3ehu h TRP -119Cb -0.00 -0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.23 3ehu h TRP -119CO -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 178.44 178.53 3ehu n ALA -118N -2.64 2.32 -0.18 0.11 0.00 -0.93 -3.95 120.51 115.25 3ehu n ALA -118Ca 0.09 -0.08 0.06 0.00 0.00 0.00 0.00 53.44 53.51 3ehu n ALA -118Cb 0.59 -1.47 0.35 0.00 0.00 0.00 0.00 19.45 18.92 3ehu n ALA -118CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 3ehu h TRP -117N 0.00 0.77 0.00 0.00 6.55 -1.38 -2.30 115.95 119.59 3ehu h TRP -117Ca 0.00 0.02 -0.01 0.00 0.95 0.00 0.00 58.89 59.85 3ehu h TRP -117Cb 0.57 -0.25 -0.00 0.00 -0.86 0.00 0.00 29.16 28.62 3ehu h TRP -117CO 0.00 0.41 -0.05 0.77 -1.05 0.00 0.00 178.44 178.53 3ehu h SER -116N 0.77 0.00 0.69 -3.49 0.02 -1.77 -3.09 113.55 106.67 3ehu h SER -116Ca 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 3ehu h SER -116Cb 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 3ehu h SER -116CO -0.10 0.05 0.00 0.59 -1.14 0.00 0.00 176.83 176.23 3ehu n ASN -115N -3.12 0.11 -4.71 3.07 5.03 -0.87 -4.83 115.26 109.95 3ehu n ASN -115Ca 0.03 0.52 -0.42 0.00 0.87 0.00 0.00 54.58 55.59 3ehu n ASN -115Cb 0.51 -0.55 -0.03 0.00 -1.02 0.00 0.00 39.78 38.70 3ehu n ASN -115CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3ehu s ILE -114N -3.04 3.91 -1.04 2.41 1.01 -1.17 -4.95 121.20 118.33 3ehu s ILE -114Ca 0.09 1.38 -0.23 0.00 0.00 0.00 0.00 60.65 61.89 3ehu s ILE -114Cb 0.12 -3.88 0.01 0.00 0.01 0.00 0.00 42.46 38.72 3ehu s ILE -114CO 0.36 0.11 1.68 -0.62 0.00 0.00 0.00 174.94 176.47 3ehu s ASP -113N 1.01 6.01 0.00 3.58 2.15 -1.26 -4.81 116.67 123.36 3ehu s ASP -113Ca 0.59 -1.37 0.22 0.00 0.43 0.00 0.00 52.55 52.42 3ehu s ASP -113Cb -0.31 -2.57 0.95 0.00 -0.30 0.00 0.00 42.92 40.70 3ehu s ASP -113CO 0.30 -1.97 1.71 0.35 -0.17 0.00 0.00 175.17 175.38 3ehu n THR -112N 7.20 0.47 0.42 1.71 -2.24 -1.26 -0.91 114.28 119.67 3ehu n THR -112Ca 0.38 0.12 0.12 0.00 -2.27 0.00 0.00 64.05 62.41 3ehu n THR -112Cb 0.49 -0.74 0.49 0.00 -2.10 0.00 0.00 70.33 68.47 3ehu n THR -112CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3ehu n SER -111N -1.49 0.73 0.00 3.42 3.41 -1.26 -4.09 113.62 114.35 3ehu n SER -111Ca 0.06 0.66 0.00 0.00 -0.26 0.00 0.00 58.87 59.33 3ehu n SER -111Cb 0.25 -0.83 0.00 0.00 -0.26 0.00 0.00 64.21 63.38 3ehu n SER -111CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3ehu n LYS -110N -2.29 2.36 -4.71 4.33 5.02 -0.86 -5.07 118.16 116.94 3ehu n LYS -110Ca 0.02 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.99 3ehu n LYS -110Cb 0.26 -0.74 -0.15 0.00 -0.02 0.00 0.00 35.03 34.38 3ehu n LYS -110CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3ehu s VAL -109N -1.29 2.60 -0.48 -0.18 1.01 -0.09 -5.03 120.40 116.95 3ehu s VAL -109Ca 0.00 -0.80 -0.18 0.00 0.00 0.00 0.00 61.98 61.00 3ehu s VAL -109Cb 0.00 -2.08 0.05 0.00 0.00 0.00 0.00 36.38 34.36 3ehu s VAL -109CO 0.00 0.53 0.52 0.20 0.00 0.00 0.00 175.10 176.35 3ehu s ASN -108N 0.64 6.20 0.19 3.32 0.01 -1.26 -4.39 114.94 119.64 3ehu s ASN -108Ca -0.09 -0.97 0.09 0.00 -0.71 0.00 0.00 52.86 51.18 3ehu s ASN -108Cb -0.16 -2.25 -0.04 0.00 0.41 0.00 0.00 41.25 39.21 3ehu s ASN -108CO 0.03 -0.76 -0.10 -0.72 -1.51 0.00 0.00 177.10 174.03 3ehu s TYR -107N 2.26 2.61 0.30 2.20 1.13 -1.26 0.44 117.35 125.03 3ehu s TYR -107Ca 0.12 -0.23 0.04 0.00 -1.41 0.00 0.00 57.07 55.58 3ehu s TYR -107Cb -0.20 -1.26 -0.06 0.00 -1.10 0.00 0.00 41.96 39.33 3ehu s TYR -107CO 0.11 0.52 0.04 0.20 -2.51 0.00 0.00 175.55 173.91 3ehu s GLY -106N -2.88 1.96 -0.05 5.49 0.00 0.04 -4.86 107.32 107.01 3ehu s GLY -106Ca 0.25 -1.99 0.03 0.00 0.00 0.00 0.00 44.72 43.00 3ehu s GLY -106CO 0.15 -1.78 -0.12 0.14 0.00 0.00 0.00 173.10 171.49 3ehu s VAL -105N -3.32 1.08 0.28 1.40 1.01 -1.26 -1.30 120.40 118.28 3ehu s VAL -105Ca 0.35 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.86 3ehu s VAL -105Cb 0.08 -0.97 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 3ehu s VAL -105CO 0.14 0.33 0.29 0.28 0.00 0.00 0.00 175.10 176.15 3ehu s THR -104N 0.49 0.00 0.58 3.92 -1.32 0.18 -4.88 115.64 114.61 3ehu s THR -104Ca -0.11 -1.85 -0.20 0.00 -1.21 0.00 0.00 61.69 58.33 3ehu s THR -104Cb -0.14 -2.50 -0.04 0.00 -1.51 0.00 0.00 72.50 68.32 3ehu s THR -104CO 0.03 0.00 1.26 0.54 -2.21 0.00 0.00 174.62 174.24 3ehu s VAL -103N -3.67 2.39 0.66 5.08 0.11 -1.26 -1.13 120.40 122.58 3ehu s VAL -103Ca 0.36 0.26 -0.18 0.00 -2.93 0.00 0.00 61.98 59.49 3ehu s VAL -103Cb 0.03 -3.11 -0.00 0.00 -1.53 0.00 0.00 36.38 31.76 3ehu s VAL -103CO 0.19 -0.04 1.29 0.18 -3.33 0.00 0.00 175.10 173.39 3ehu n LEU -102N -1.43 5.97 -4.80 2.54 4.77 -1.26 -4.43 117.00 118.35 3ehu n LEU -102Ca 0.13 0.81 -0.30 0.00 -0.03 0.00 0.00 56.01 56.63 3ehu n LEU -102Cb 0.48 -1.55 0.10 0.00 -2.33 0.00 0.00 43.42 40.12 3ehu n LEU -102CO 0.47 -1.04 0.72 -2.84 -1.33 0.00 0.00 177.39 173.37 3ehu s PRO -101N -3.42 1.82 0.60 3.23 0.02 -1.26 -4.58 135.00 131.41 3ehu s PRO -101Ca 0.82 0.52 -0.13 0.00 0.02 0.00 0.00 61.00 62.24 3ehu s PRO -101Cb -0.37 -1.90 -0.05 0.00 0.02 0.00 0.00 34.50 32.20 3ehu s PRO -101CO 0.41 -1.78 1.02 0.95 -0.33 0.00 0.00 177.00 177.27 3ehu s THR -100N -3.20 4.58 -0.06 0.99 -4.23 -0.25 -3.19 115.64 110.28 3ehu s THR -100Ca 0.62 0.96 0.00 0.00 -1.18 0.00 0.00 61.69 62.09 3ehu s THR -100Cb -0.14 -3.78 0.02 0.00 1.34 0.00 0.00 72.50 69.94 3ehu s THR -100CO 0.54 -0.98 -0.05 0.12 -0.54 0.00 0.00 174.62 173.71 3ehu s PHE -99 N -3.00 0.89 -1.56 3.99 5.36 0.99 -0.70 117.98 123.95 3ehu s PHE -99 Ca 0.57 -0.30 -0.08 0.00 -0.96 0.00 0.00 56.93 56.15 3ehu s PHE -99 Cb -0.11 -0.81 0.07 0.00 -0.34 0.00 0.00 43.02 41.83 3ehu s PHE -99 CO 0.47 -0.27 0.53 1.63 -1.46 0.00 0.00 175.22 176.12 3ehu n LYS -98 N 4.39 -2.91 -0.90 10.12 5.02 -1.26 -1.01 118.16 131.61 3ehu n LYS -98 Ca -0.19 0.35 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 3ehu n LYS -98 Cb 0.51 -4.67 0.00 0.00 -0.02 0.00 0.00 35.03 30.85 3ehu n LYS -98 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ehu n GLY -97 N -1.79 0.86 3.63 0.72 0.00 -1.26 -5.00 105.19 102.35 3ehu n GLY -97 Ca -0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 3ehu n GLY -97 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ehu s GLN -96 N -0.17 3.35 0.43 1.61 -1.52 -0.18 -5.02 119.66 118.17 3ehu s GLN -96 Ca 0.00 -0.42 -0.26 0.00 -1.95 0.00 0.00 55.36 52.73 3ehu s GLN -96 Cb 0.00 -2.91 -0.09 0.00 -0.22 0.00 0.00 33.01 29.79 3ehu s GLN -96 CO 0.00 0.51 1.45 -0.35 -0.25 0.00 0.00 175.29 176.66 3ehu n PRO -95 N 2.74 2.38 -1.52 2.91 -0.04 -1.26 -0.01 135.00 140.19 3ehu n PRO -95 Ca -0.18 0.84 -0.36 0.00 -0.04 0.00 0.00 63.50 63.76 3ehu n PRO -95 Cb 0.53 -2.65 0.08 0.00 -0.04 0.00 0.00 33.50 31.42 3ehu n PRO -95 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3ehu n SER -94 N -0.04 1.07 -3.54 3.54 7.64 -1.19 -4.60 113.62 116.50 3ehu n SER -94 Ca 0.04 0.74 -0.27 0.00 1.01 0.00 0.00 58.87 60.40 3ehu n SER -94 Cb 0.41 -1.46 -0.10 0.00 -1.01 0.00 0.00 64.21 62.05 3ehu n SER -94 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3ehu n LYS -93 N -1.77 1.24 -2.04 1.43 5.02 -0.87 -4.16 118.16 117.00 3ehu n LYS -93 Ca 0.14 -3.89 -0.40 0.00 -2.02 0.00 0.00 58.31 52.14 3ehu n LYS -93 Cb 0.49 -1.91 -0.00 0.00 -0.02 0.00 0.00 35.03 33.58 3ehu n LYS -93 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3ehu s PRO -92 N -1.10 3.98 -0.09 1.97 0.04 -1.26 -4.34 135.00 134.20 3ehu s PRO -92 Ca 0.32 2.18 -0.30 0.00 0.04 0.00 0.00 61.00 63.24 3ehu s PRO -92 Cb 0.05 -2.77 -0.04 0.00 0.04 0.00 0.00 34.50 31.78 3ehu s PRO -92 CO -0.14 -0.49 1.40 -0.06 0.04 0.00 0.00 177.00 177.74 3ehu s PHE -91 N -1.25 2.64 -0.12 0.56 0.08 -1.26 -1.78 117.98 116.84 3ehu s PHE -91 Ca 0.57 0.75 -0.17 0.00 0.12 0.00 0.00 56.93 58.20 3ehu s PHE -91 Cb -0.38 -3.65 -0.04 0.00 -0.57 0.00 0.00 43.02 38.37 3ehu s PHE -91 CO 0.50 -2.44 0.43 0.08 -0.10 0.00 0.00 175.22 173.68 3ehu s VAL -90 N 3.27 5.21 0.09 -0.44 1.01 0.21 -4.80 120.40 124.95 3ehu s VAL -90 Ca 0.62 0.85 0.03 0.00 0.00 0.00 0.00 61.98 63.48 3ehu s VAL -90 Cb -0.27 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 3ehu s VAL -90 CO 0.22 0.35 0.08 -0.83 0.00 0.00 0.00 175.10 174.93 3ehu s GLY -89 N 0.52 1.98 -0.34 4.51 0.00 -0.64 -1.56 107.32 111.80 3ehu s GLY -89 Ca 0.23 -1.04 -0.05 0.00 0.00 0.00 0.00 44.72 43.87 3ehu s GLY -89 CO 0.09 -1.02 0.10 0.14 0.00 0.00 0.00 173.10 172.40 3ehu s VAL -88 N -1.43 3.53 0.08 1.40 1.01 -1.26 0.53 120.40 124.25 3ehu s VAL -88 Ca 0.29 -1.34 -0.32 0.00 0.00 0.00 0.00 61.98 60.61 3ehu s VAL -88 Cb -0.12 -3.07 -0.11 0.00 0.00 0.00 0.00 36.38 33.07 3ehu s VAL -88 CO 0.22 -0.25 1.81 -0.11 0.00 0.00 0.00 175.10 176.77 3ehu n LEU -87 N 4.74 3.72 -4.16 3.92 7.94 0.12 -0.72 117.00 132.55 3ehu n LEU -87 Ca -0.11 1.00 -0.13 0.00 -1.11 0.00 0.00 56.01 55.66 3ehu n LEU -87 Cb 0.44 -1.48 -0.11 0.00 0.53 0.00 0.00 43.42 42.80 3ehu n LEU -87 CO 0.31 0.03 -0.40 -0.44 -1.11 0.00 0.00 177.39 175.77 3ehu s SER -86 N 2.79 1.29 -0.23 1.96 0.01 0.26 0.24 113.70 120.02 3ehu s SER -86 Ca 0.84 -0.85 0.02 0.00 1.31 0.00 0.00 55.95 57.27 3ehu s SER -86 Cb -0.57 0.04 0.04 0.00 0.21 0.00 0.00 66.02 65.74 3ehu s SER -86 CO 0.41 -0.33 -0.13 0.00 0.41 0.00 0.00 173.24 173.60 3ehu s ALA -85 N -2.74 2.51 0.15 1.44 0.00 0.32 -1.66 121.76 121.77 3ehu s ALA -85 Ca 0.06 -1.54 0.03 0.00 0.00 0.00 0.00 51.96 50.51 3ehu s ALA -85 Cb -0.01 -1.47 -0.04 0.00 0.00 0.00 0.00 23.12 21.60 3ehu s ALA -85 CO -0.01 -0.86 0.26 0.20 0.00 0.00 0.00 175.76 175.34 3ehu s GLY -84 N 1.20 1.73 -0.22 0.00 0.00 0.15 -1.47 107.32 108.71 3ehu s GLY -84 Ca -0.03 -1.05 -0.07 0.00 0.00 0.00 0.00 44.72 43.57 3ehu s GLY -84 CO -0.08 -1.05 0.07 -0.42 0.00 0.00 0.00 173.10 171.62 3ehu s ILE -83 N -1.73 4.49 0.05 0.90 1.01 -1.26 -0.89 121.20 123.76 3ehu s ILE -83 Ca 0.34 -0.12 -0.33 0.00 0.00 0.00 0.00 60.65 60.54 3ehu s ILE -83 Cb -0.11 -3.07 -0.11 0.00 0.01 0.00 0.00 42.46 39.18 3ehu s ILE -83 CO 0.28 0.38 1.82 -3.20 0.00 0.00 0.00 174.94 174.22 3ehu n ASN -82 N 4.38 3.68 0.21 3.58 2.85 -0.28 -0.81 115.26 128.87 3ehu n ASN -82 Ca -0.16 0.99 0.17 0.00 -0.11 0.00 0.00 54.58 55.47 3ehu n ASN -82 Cb 0.52 -1.46 0.83 0.00 1.24 0.00 0.00 39.78 40.91 3ehu n ASN -82 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3ehu h ALA -81 N 8.55 1.80 -0.00 5.20 0.00 -1.07 -1.24 119.26 132.49 3ehu h ALA -81 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3ehu h ALA -81 Cb 1.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3ehu h ALA -81 CO 0.94 -0.29 -0.19 0.00 0.00 0.00 0.00 179.25 179.70 3ehu n ALA -80 N -2.33 2.90 -2.20 0.00 0.00 -1.26 -4.88 120.51 112.74 3ehu n ALA -80 Ca 0.01 -0.27 -0.42 0.00 0.00 0.00 0.00 53.44 52.77 3ehu n ALA -80 Cb 0.32 -1.29 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 3ehu n ALA -80 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3ehu s SER -79 N -2.68 7.01 0.00 0.00 0.15 -0.47 -4.84 113.70 112.87 3ehu s SER -79 Ca 0.22 2.20 0.06 0.00 0.70 0.00 0.00 55.95 59.12 3ehu s SER -79 Cb 0.19 -2.59 0.20 0.00 -1.71 0.00 0.00 66.02 62.11 3ehu s SER -79 CO 0.54 -0.48 1.15 -0.81 1.20 0.00 0.00 173.24 174.84 3ehu n PRO -78 N 3.30 1.36 -0.87 5.44 -0.04 -1.26 -4.00 135.00 138.93 3ehu n PRO -78 Ca 0.08 -0.56 -0.00 0.00 -0.04 0.00 0.00 63.50 62.97 3ehu n PRO -78 Cb 0.45 -1.14 0.17 0.00 -0.04 0.00 0.00 33.50 32.94 3ehu n PRO -78 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3ehu n ASN -77 N -0.06 2.34 -0.03 3.54 3.02 -1.26 -4.80 115.26 118.01 3ehu n ASN -77 Ca 0.06 -3.88 0.02 0.00 -0.03 0.00 0.00 54.58 50.75 3ehu n ASN -77 Cb 0.14 -0.50 0.34 0.00 -0.61 0.00 0.00 39.78 39.14 3ehu n ASN -77 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 3ehu h LYS -76 N 1.22 0.61 -0.14 3.52 1.57 -1.93 -0.57 116.57 120.84 3ehu h LYS -76 Ca 0.08 -0.08 -0.20 0.00 -1.87 0.00 0.00 60.65 58.59 3ehu h LYS -76 Cb 1.13 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.32 3ehu h LYS -76 CO 0.16 0.49 -0.71 1.49 -0.57 0.00 0.00 179.45 180.32 3ehu h GLU -75 N 0.61 0.60 -0.46 3.15 4.81 -1.94 -0.98 114.58 120.37 3ehu h GLU -75 Ca 0.15 -0.47 -0.03 0.00 -0.13 0.00 0.00 59.36 58.89 3ehu h GLU -75 Cb 0.10 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 3ehu h GLU -75 CO -0.02 1.09 0.18 -0.07 -0.73 0.00 0.00 179.01 179.46 3ehu h LEU -74 N 0.42 0.63 -0.56 1.64 3.38 -1.83 -1.13 115.31 117.86 3ehu h LEU -74 Ca -0.03 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 3ehu h LEU -74 Cb 1.30 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.86 3ehu h LEU -74 CO 0.13 0.63 0.30 0.00 0.09 0.00 0.00 178.44 179.59 3ehu h ALA -73 N 1.03 0.72 -0.38 1.53 0.00 -1.04 0.04 119.26 121.16 3ehu h ALA -73 Ca 0.15 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3ehu h ALA -73 Cb 0.19 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3ehu h ALA -73 CO -0.01 0.25 0.06 -0.22 0.00 0.00 0.00 179.25 179.33 3ehu h LYS -72 N 0.75 0.63 -0.53 0.00 3.64 -1.05 -1.52 116.57 118.49 3ehu h LYS -72 Ca 0.20 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3ehu h LYS -72 Cb 0.06 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 3ehu h LYS -72 CO -0.03 0.69 0.35 1.49 -2.27 0.00 0.00 179.45 179.68 3ehu h GLU -71 N 0.48 0.71 0.03 1.90 4.81 -1.05 -1.40 114.58 120.06 3ehu h GLU -71 Ca 0.12 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3ehu h GLU -71 Cb 0.37 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.59 3ehu h GLU -71 CO 0.01 0.48 -0.01 0.35 -0.73 0.00 0.00 179.01 179.11 3ehu h PHE -70 N 0.72 -0.04 -0.48 0.92 3.04 -0.74 -1.68 116.94 118.69 3ehu h PHE -70 Ca 0.19 -0.00 -0.05 0.00 3.98 0.00 0.00 57.97 62.10 3ehu h PHE -70 Cb -0.06 0.01 -0.02 0.00 2.56 0.00 0.00 35.95 38.44 3ehu h PHE -70 CO -0.03 0.04 0.12 -0.07 -2.02 0.00 0.00 178.31 176.34 3ehu h LEU -69 N -0.10 0.72 0.05 0.59 3.38 -1.22 -0.19 115.31 118.54 3ehu h LEU -69 Ca -0.00 -0.23 -0.15 0.00 0.09 0.00 0.00 57.88 57.59 3ehu h LEU -69 Cb 0.09 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.66 3ehu h LEU -69 CO 0.01 0.76 -0.61 -0.33 0.09 0.00 0.00 178.44 178.36 3ehu h GLU -68 N 0.65 0.33 0.00 1.13 5.08 -1.26 -0.85 114.58 119.65 3ehu h GLU -68 Ca 0.15 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 3ehu h GLU -68 Cb 0.32 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3ehu h GLU -68 CO 0.00 1.12 -1.03 0.09 -1.00 0.00 0.00 179.01 178.20 3ehu n ASN -67 N -4.24 0.85 0.02 1.42 3.02 -0.63 -4.26 115.26 111.43 3ehu n ASN -67 Ca -0.11 -0.70 -0.02 0.00 -0.03 0.00 0.00 54.58 53.72 3ehu n ASN -67 Cb 0.70 1.18 -0.01 0.00 -0.61 0.00 0.00 39.78 41.04 3ehu n ASN -67 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3ehu n TYR -66 N -1.56 0.00 0.00 3.10 4.02 -0.81 -4.88 117.16 117.03 3ehu n TYR -66 Ca 0.02 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.78 3ehu n TYR -66 Cb 0.31 -0.12 -0.09 0.00 -0.02 0.00 0.00 39.34 39.41 3ehu n TYR -66 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 3ehu h LEU -65 N -0.24 -0.02 -5.24 7.72 5.85 -1.15 -3.34 115.31 118.88 3ehu h LEU -65 Ca 0.00 -0.42 -0.68 0.00 0.84 0.00 0.00 57.88 57.62 3ehu h LEU -65 Cb 0.24 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 3ehu h LEU -65 CO 0.00 0.41 2.99 0.18 -0.34 0.00 0.00 178.44 181.69 3ehu n LEU -64 N -4.89 8.29 -4.22 2.25 4.77 -0.33 -2.79 117.00 120.07 3ehu n LEU -64 Ca -0.08 -4.55 -0.13 0.00 -0.03 0.00 0.00 56.01 51.22 3ehu n LEU -64 Cb 0.23 -1.46 -0.10 0.00 -2.33 0.00 0.00 43.42 39.76 3ehu n LEU -64 CO 0.33 2.05 -0.34 0.42 -1.33 0.00 0.00 177.39 178.52 3ehu s THR -63 N 0.54 0.63 0.20 -5.08 -4.23 -1.26 -4.81 115.64 101.63 3ehu s THR -63 Ca 0.63 -1.96 -0.11 0.00 -1.18 0.00 0.00 61.69 59.06 3ehu s THR -63 Cb 0.19 -2.02 0.11 0.00 1.34 0.00 0.00 72.50 72.13 3ehu s THR -63 CO -0.08 -0.56 1.78 0.44 -0.54 0.00 0.00 174.62 175.66 3ehu h ASP -62 N 2.77 0.40 -0.51 3.99 3.32 -1.92 -0.68 116.42 123.78 3ehu h ASP -62 Ca -0.36 0.04 -0.12 0.00 0.02 0.00 0.00 57.03 56.61 3ehu h ASP -62 Cb 1.20 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.70 3ehu h ASP -62 CO 0.63 0.26 -0.14 -0.33 -1.72 0.00 0.00 179.24 177.93 3ehu h GLU -61 N 0.54 1.01 -0.11 3.56 3.07 -1.91 -1.52 114.58 119.22 3ehu h GLU -61 Ca 0.27 -0.39 -0.02 0.00 -0.50 0.00 0.00 59.36 58.71 3ehu h GLU -61 Cb 0.21 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.06 3ehu h GLU -61 CO -0.20 1.08 -0.01 0.78 -1.40 0.00 0.00 179.01 179.26 3ehu h GLY -60 N 0.92 0.21 1.29 -3.84 0.00 -1.60 -2.07 103.07 97.97 3ehu h GLY -60 Ca 0.13 -0.17 -0.12 0.00 0.00 0.00 0.00 47.33 47.18 3ehu h GLY -60 CO 0.05 0.15 -0.22 1.41 0.00 0.00 0.00 176.54 177.94 3ehu h LEU -59 N -0.10 0.83 -0.71 3.11 3.38 -0.95 -2.87 115.31 117.99 3ehu h LEU -59 Ca 0.03 -0.30 0.09 0.00 0.09 0.00 0.00 57.88 57.79 3ehu h LEU -59 Cb 0.39 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.85 3ehu h LEU -59 CO 0.01 1.02 0.37 -0.08 0.09 0.00 0.00 178.44 179.85 3ehu h GLU -58 N 0.71 0.62 -0.54 1.13 4.57 -1.28 0.11 114.58 119.90 3ehu h GLU -58 Ca 0.10 -0.04 0.08 0.00 -1.18 0.00 0.00 59.36 58.32 3ehu h GLU -58 Cb 0.74 -0.14 -0.06 0.00 -0.16 0.00 0.00 28.75 29.13 3ehu h GLU -58 CO 0.06 0.41 0.18 0.00 -1.18 0.00 0.00 179.01 178.48 3ehu h ALA -57 N 1.42 0.66 -0.13 2.92 0.00 -1.16 -0.31 119.26 122.65 3ehu h ALA -57 Ca 0.35 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.29 3ehu h ALA -57 Cb 0.34 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3ehu h ALA -57 CO -0.25 -0.22 -0.11 0.28 0.00 0.00 0.00 179.25 178.95 3ehu h VAL -56 N 0.35 1.34 -0.49 0.00 2.07 -1.25 -3.20 116.25 115.07 3ehu h VAL -56 Ca 0.26 -1.23 -0.00 0.00 0.82 0.00 0.00 66.70 66.55 3ehu h VAL -56 Cb 0.31 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 3ehu h VAL -56 CO -0.28 0.36 0.30 -1.13 0.02 0.00 0.00 177.57 176.84 3ehu h ASN -55 N -0.08 0.58 0.25 0.57 -1.24 -0.58 0.07 115.58 115.15 3ehu h ASN -55 Ca 0.02 -0.02 -0.04 0.00 0.71 0.00 0.00 56.30 56.97 3ehu h ASN -55 Cb 0.61 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.51 3ehu h ASN -55 CO 0.03 0.44 -0.18 0.11 -1.29 0.00 0.00 177.43 176.54 3ehu h LYS -54 N 0.67 0.00 0.00 6.67 1.57 -1.06 -3.13 116.57 121.29 3ehu h LYS -54 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3ehu h LYS -54 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.27 3ehu h LYS -54 CO -0.04 0.18 -0.07 0.22 -0.57 0.00 0.00 179.45 179.18 3ehu h ASP -53 N 0.00 0.00 -3.55 0.86 3.58 -1.02 -3.47 116.42 112.82 3ehu h ASP -53 Ca -0.00 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 57.11 3ehu h ASP -53 Cb 0.35 0.00 -0.33 0.00 1.72 0.00 0.00 39.33 41.07 3ehu h ASP -53 CO 0.02 0.31 -0.75 -0.54 -2.88 0.00 0.00 179.24 175.41 3ehu s LYS -52 N -1.40 0.34 0.31 0.28 1.02 -0.63 -4.89 119.74 114.77 3ehu s LYS -52 Ca -0.02 0.03 -0.29 0.00 0.02 0.00 0.00 55.97 55.71 3ehu s LYS -52 Cb 0.00 -0.47 -0.12 0.00 -0.52 0.00 0.00 37.83 36.72 3ehu s LYS -52 CO 0.03 -0.09 1.41 -2.30 -0.92 0.00 0.00 175.35 173.47 3ehu n PRO -51 N 3.93 2.30 0.04 -1.68 -0.02 -1.18 -4.07 135.00 134.31 3ehu n PRO -51 Ca -0.25 0.81 -0.04 0.00 -2.02 0.00 0.00 63.50 62.01 3ehu n PRO -51 Cb 0.52 -2.47 -0.09 0.00 -0.02 0.00 0.00 33.50 31.44 3ehu n PRO -51 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3ehu h LEU -50 N 3.46 0.00 0.00 2.45 3.38 -1.86 -2.68 115.31 120.07 3ehu h LEU -50 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3ehu h LEU -50 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 3ehu h LEU -50 CO 0.69 0.78 0.00 0.61 0.09 0.00 0.00 178.44 180.61 3ehu n GLY -49 N 1.41 2.21 3.14 0.83 0.00 -1.26 -4.57 105.19 106.94 3ehu n GLY -49 Ca -0.08 -0.20 -0.15 0.00 0.00 0.00 0.00 46.02 45.59 3ehu n GLY -49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ehu s ALA -48 N -0.62 0.95 0.14 4.61 0.00 -1.24 -4.78 121.76 120.82 3ehu s ALA -48 Ca 0.00 -0.99 0.05 0.00 0.00 0.00 0.00 51.96 51.01 3ehu s ALA -48 Cb 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 3ehu s ALA -48 CO 0.00 0.03 -0.11 0.14 0.00 0.00 0.00 175.76 175.82 3ehu s VAL -47 N -1.75 1.18 0.21 0.00 -7.23 -1.26 -0.91 120.40 110.64 3ehu s VAL -47 Ca -0.02 -1.93 0.09 0.00 -1.81 0.00 0.00 61.98 58.31 3ehu s VAL -47 Cb -0.07 -1.71 -0.10 0.00 0.56 0.00 0.00 36.38 35.06 3ehu s VAL -47 CO 0.01 -0.65 1.47 0.00 -0.31 0.00 0.00 175.10 175.63 3ehu h ALA -46 N 3.05 0.72 -2.03 1.32 0.00 -1.71 -3.44 119.26 117.17 3ehu h ALA -46 Ca -0.37 -0.70 -0.57 0.00 0.00 0.00 0.00 54.91 53.27 3ehu h ALA -46 Cb 1.19 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 3ehu h ALA -46 CO 0.59 0.97 1.01 -1.17 0.00 0.00 0.00 179.25 180.65 3ehu s LEU -45 N -7.23 3.96 0.19 0.00 2.96 -1.26 -1.71 118.68 115.59 3ehu s LEU -45 Ca -0.00 1.46 -0.11 0.00 -0.22 0.00 0.00 54.13 55.25 3ehu s LEU -45 Cb 0.12 -3.54 0.21 0.00 0.50 0.00 0.00 46.19 43.48 3ehu s LEU -45 CO 0.79 -1.06 1.75 0.11 -1.32 0.00 0.00 176.35 176.62 3ehu h LYS -44 N 9.50 0.40 -0.63 1.98 1.57 -1.49 -0.74 116.57 127.16 3ehu h LYS -44 Ca -0.29 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.39 3ehu h LYS -44 Cb 1.12 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.31 3ehu h LYS -44 CO 1.01 0.27 0.07 0.66 -0.57 0.00 0.00 179.45 180.89 3ehu h SER -43 N 0.41 1.02 0.83 0.86 4.64 -1.92 -1.52 113.55 117.86 3ehu h SER -43 Ca 0.27 -0.25 -0.24 0.00 -0.47 0.00 0.00 61.79 61.09 3ehu h SER -43 Cb 0.28 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.08 3ehu h SER -43 CO -0.25 1.03 -1.14 0.22 -0.87 0.00 0.00 176.83 175.81 3ehu h TYR -42 N 0.98 0.18 -0.09 4.77 3.20 -1.88 -3.23 116.97 120.90 3ehu h TYR -42 Ca 0.19 -0.13 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 3ehu h TYR -42 Cb 0.47 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 3ehu h TYR -42 CO 0.03 1.11 -0.11 1.49 -1.64 0.00 0.00 178.16 179.04 3ehu h GLU -41 N 0.03 0.13 -0.30 1.82 4.57 -0.92 -1.38 114.58 118.53 3ehu h GLU -41 Ca -0.08 -0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 58.03 3ehu h GLU -41 Cb 1.86 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 30.41 3ehu h GLU -41 CO 0.15 0.25 -0.03 1.49 -1.18 0.00 0.00 179.01 179.69 3ehu h GLU -40 N 0.13 0.47 -0.26 1.92 4.81 -1.30 0.19 114.58 120.54 3ehu h GLU -40 Ca 0.03 -0.10 -0.17 0.00 -0.13 0.00 0.00 59.36 58.99 3ehu h GLU -40 Cb 0.28 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.59 3ehu h GLU -40 CO 0.02 0.53 -0.49 0.93 -0.73 0.00 0.00 179.01 179.26 3ehu h GLU -39 N 0.45 0.80 0.00 1.92 4.39 -1.46 -3.27 114.58 117.42 3ehu h GLU -39 Ca 0.10 -0.51 -0.09 0.00 0.34 0.00 0.00 59.36 59.20 3ehu h GLU -39 Cb 0.35 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 3ehu h GLU -39 CO 0.01 1.14 -0.42 -0.07 -1.16 0.00 0.00 179.01 178.51 3ehu h LEU -38 N 0.56 0.00 -0.77 1.33 3.38 -0.71 -3.29 115.31 115.81 3ehu h LEU -38 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3ehu h LEU -38 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3ehu h LEU -38 CO 0.11 0.42 0.00 0.00 0.09 0.00 0.00 178.44 179.06 3ehu n ALA -37 N -2.40 1.62 -0.04 1.53 0.00 0.60 -1.36 120.51 120.47 3ehu n ALA -37 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.39 3ehu n ALA -37 Cb 0.48 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.87 3ehu n ALA -37 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3ehu n LYS -36 N 0.13 2.69 -1.90 0.00 5.02 -1.24 -4.91 118.16 117.96 3ehu n LYS -36 Ca 0.00 -0.01 -0.42 0.00 -2.02 0.00 0.00 58.31 55.86 3ehu n LYS -36 Cb 0.07 -1.19 -0.03 0.00 -0.02 0.00 0.00 35.03 33.86 3ehu n LYS -36 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3ehu s ASP -35 N -3.89 5.69 0.37 4.39 -1.08 -0.47 -4.89 116.67 116.78 3ehu s ASP -35 Ca -0.04 1.34 0.26 0.00 -0.52 0.00 0.00 52.55 53.60 3ehu s ASP -35 Cb 0.02 -2.52 0.77 0.00 -1.46 0.00 0.00 42.92 39.73 3ehu s ASP -35 CO 0.31 -1.87 1.75 -0.65 0.52 0.00 0.00 175.17 175.23 3ehu h PRO -34 N 13.80 0.00 -0.47 4.34 0.11 -1.91 -1.85 132.00 146.02 3ehu h PRO -34 Ca -0.34 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.84 3ehu h PRO -34 Cb 1.19 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 3ehu h PRO -34 CO 1.04 0.00 0.32 0.00 -0.21 0.00 0.00 178.00 179.14 3ehu h ARG -33 N 0.00 0.34 -5.99 1.05 3.08 -1.90 -3.51 114.38 107.45 3ehu h ARG -33 Ca 0.00 -0.02 -0.59 0.00 0.07 0.00 0.00 59.98 59.44 3ehu h ARG -33 Cb 0.74 -0.08 -0.07 0.00 0.08 0.00 0.00 29.97 30.64 3ehu h ARG -33 CO 0.00 0.22 0.66 0.42 -1.07 0.00 0.00 179.97 180.20 3ehu s ILE -32 N -5.34 4.71 0.00 2.04 1.01 -0.70 -4.96 121.20 117.97 3ehu s ILE -32 Ca -0.07 1.75 0.00 0.00 0.00 0.00 0.00 60.65 62.32 3ehu s ILE -32 Cb 0.19 -4.25 0.00 0.00 0.01 0.00 0.00 42.46 38.41 3ehu s ILE -32 CO 0.73 -0.20 0.00 0.61 0.00 0.00 0.00 174.94 176.08 3ehu n GLY -22 N 3.64 3.26 3.08 6.18 0.00 -1.26 -5.02 105.19 115.06 3ehu n GLY -22 Ca 0.09 -1.32 -0.20 0.00 0.00 0.00 0.00 46.02 44.59 3ehu n GLY -22 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ehu s GLU -21 N -5.60 0.91 0.20 1.61 2.02 -0.74 -4.94 118.70 112.16 3ehu s GLU -21 Ca 0.00 -0.48 -0.32 0.00 0.02 0.00 0.00 54.97 54.19 3ehu s GLU -21 Cb 0.00 -0.88 -0.12 0.00 0.10 0.00 0.00 34.13 33.24 3ehu s GLU -21 CO 0.00 0.23 1.70 0.42 0.02 0.00 0.00 175.26 177.64 3ehu s ILE -20 N -0.41 2.11 0.54 -1.63 -1.09 -1.26 0.66 121.20 120.13 3ehu s ILE -20 Ca 0.03 0.08 -0.21 0.00 -2.23 0.00 0.00 60.65 58.32 3ehu s ILE -20 Cb -0.05 -3.05 -0.05 0.00 -1.58 0.00 0.00 42.46 37.73 3ehu s ILE -20 CO -0.00 0.01 1.27 -0.04 -1.23 0.00 0.00 174.94 174.95 3ehu s MET -19 N 1.15 3.21 0.84 2.79 -1.94 -0.60 -4.81 119.30 119.94 3ehu s MET -19 Ca 0.74 2.02 -0.11 0.00 -1.71 0.00 0.00 55.69 56.63 3ehu s MET -19 Cb -0.49 -2.19 0.10 0.00 2.01 0.00 0.00 34.83 34.26 3ehu s MET -19 CO 0.32 -1.07 1.12 -2.14 -0.01 0.00 0.00 175.02 173.25 3ehu s PRO -18 N -2.99 1.66 0.00 2.03 0.02 -1.26 -4.86 135.00 129.61 3ehu s PRO -18 Ca 0.72 1.38 0.17 0.00 0.02 0.00 0.00 61.00 63.29 3ehu s PRO -18 Cb -0.35 -1.81 0.45 0.00 0.02 0.00 0.00 34.50 32.80 3ehu s PRO -18 CO 0.41 -2.12 1.37 0.27 -0.33 0.00 0.00 177.00 176.59 3ehu n ASN -17 N -3.81 3.36 -4.74 2.53 0.23 -1.26 -4.39 115.26 107.17 3ehu n ASN -17 Ca 0.11 -1.98 -0.36 0.00 -0.53 0.00 0.00 54.58 51.82 3ehu n ASN -17 Cb 0.52 -0.33 0.05 0.00 -2.08 0.00 0.00 39.78 37.94 3ehu n ASN -17 CO 0.00 0.00 0.00 0.27 -0.93 0.00 0.00 177.26 176.60 3ehu s ILE -16 N -1.04 2.36 0.65 1.53 -4.36 -1.26 -1.81 121.20 117.28 3ehu s ILE -16 Ca 0.35 0.23 0.40 0.00 -0.26 0.00 0.00 60.65 61.36 3ehu s ILE -16 Cb 0.18 -3.08 0.41 0.00 1.25 0.00 0.00 42.46 41.23 3ehu s ILE -16 CO 0.24 -0.05 2.28 -0.65 0.24 0.00 0.00 174.94 177.00 3ehu h PRO -15 N 0.70 0.00 0.00 0.37 0.11 -1.89 -1.61 132.00 129.68 3ehu h PRO -15 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3ehu h PRO -15 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3ehu h PRO -15 CO 0.54 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.37 3ehu n GLN -14 N -3.20 0.47 -0.13 1.05 3.00 -1.26 -3.77 117.38 113.54 3ehu n GLN -14 Ca -0.03 0.03 -0.03 0.00 -0.01 0.00 0.00 57.00 56.97 3ehu n GLN -14 Cb 0.13 -1.50 0.20 0.00 0.00 0.00 0.00 30.24 29.07 3ehu n GLN -14 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.06 177.58 3ehu h MET -13 N 0.00 0.83 -0.24 -1.09 2.86 -1.58 -2.07 114.93 113.63 3ehu h MET -13 Ca 0.00 -0.16 -0.00 0.00 -2.06 0.00 0.00 59.70 57.48 3ehu h MET -13 Cb 0.21 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 3ehu h MET -13 CO 0.00 0.74 0.15 0.66 1.06 0.00 0.00 176.91 179.51 3ehu h SER -12 N 0.80 0.29 -0.68 1.22 4.64 -1.82 -0.72 113.55 117.30 3ehu h SER -12 Ca 0.18 -0.05 0.10 0.00 -0.47 0.00 0.00 61.79 61.55 3ehu h SER -12 Cb 0.27 -0.07 -0.07 0.00 -0.31 0.00 0.00 62.40 62.21 3ehu h SER -12 CO -0.00 0.25 0.31 0.00 -0.87 0.00 0.00 176.83 176.52 3ehu h ALA -11 N 1.05 0.92 0.22 5.18 0.00 -1.76 -1.13 119.26 123.74 3ehu h ALA -11 Ca 0.09 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3ehu h ALA -11 Cb 0.01 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3ehu h ALA -11 CO -0.02 -0.11 -0.21 0.35 0.00 0.00 0.00 179.25 179.27 3ehu h PHE -10 N 0.53 -0.54 -0.49 0.00 3.57 -1.03 -0.72 116.94 118.25 3ehu h PHE -10 Ca 0.34 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.78 3ehu h PHE -10 Cb 0.39 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 3ehu h PHE -10 CO -0.13 -0.31 0.06 -1.49 -2.23 0.00 0.00 178.31 174.21 3ehu h TRP -9 N -0.45 0.82 -0.45 0.41 -0.00 -0.83 -1.68 115.95 113.77 3ehu h TRP -9 Ca -0.00 -0.09 -0.11 0.00 -0.00 0.00 0.00 58.89 58.69 3ehu h TRP -9 Cb 0.42 -0.23 -0.01 0.00 -0.00 0.00 0.00 29.16 29.33 3ehu h TRP -9 CO -0.15 0.73 -0.14 -0.92 -0.00 0.00 0.00 178.44 177.96 3ehu h TYR -8 N 0.74 1.01 -0.24 0.49 3.20 -1.07 0.07 116.97 121.17 3ehu h TYR -8 Ca 0.16 -0.23 0.02 0.00 3.14 0.00 0.00 58.73 61.82 3ehu h TYR -8 Cb 0.37 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 3ehu h TYR -8 CO 0.02 1.00 0.10 0.00 -1.64 0.00 0.00 178.16 177.65 3ehu h ALA -7 N 0.86 0.28 -0.20 1.82 0.00 -0.81 -1.90 119.26 119.32 3ehu h ALA -7 Ca 0.11 0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.86 3ehu h ALA -7 Cb 0.70 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 3ehu h ALA -7 CO 0.05 -0.30 -0.59 0.28 0.00 0.00 0.00 179.25 178.69 3ehu h VAL -6 N 0.23 1.31 -0.29 0.00 2.07 -1.18 -2.07 116.25 116.31 3ehu h VAL -6 Ca 0.10 -1.83 0.05 0.00 0.82 0.00 0.00 66.70 65.83 3ehu h VAL -6 Cb 0.04 1.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.56 3ehu h VAL -6 CO -0.08 0.58 0.02 -0.09 0.02 0.00 0.00 177.57 178.02 3ehu h ARG -5 N 0.49 0.11 -0.41 1.57 2.43 -0.94 -0.15 114.38 117.47 3ehu h ARG -5 Ca -0.00 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3ehu h ARG -5 Cb 1.16 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.67 3ehu h ARG -5 CO 0.12 0.07 0.22 1.15 -1.51 0.00 0.00 179.97 180.02 3ehu h THR -4 N 0.12 1.15 -0.14 0.20 2.02 -1.27 -2.35 112.91 112.64 3ehu h THR -4 Ca 0.14 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 3ehu h THR -4 Cb 0.17 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 3ehu h THR -4 CO -0.21 0.16 0.06 0.00 0.37 0.00 0.00 175.52 175.90 3ehu h ALA -3 N 1.08 0.18 0.04 6.16 0.00 -1.09 -1.49 119.26 124.14 3ehu h ALA -3 Ca 0.14 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3ehu h ALA -3 Cb 0.05 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3ehu h ALA -3 CO -0.02 -0.24 -0.02 0.28 0.00 0.00 0.00 179.25 179.25 3ehu h VAL -2 N 0.08 0.95 -0.24 0.00 2.07 -1.02 -0.39 116.25 117.69 3ehu h VAL -2 Ca 0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.57 3ehu h VAL -2 Cb 0.16 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 3ehu h VAL -2 CO -0.00 0.00 0.16 0.40 0.02 0.00 0.00 177.57 178.14 3ehu h ILE -1 N -0.06 1.07 -0.69 4.57 2.04 -1.40 0.19 117.51 123.23 3ehu h ILE -1 Ca -0.00 -0.15 -0.07 0.00 1.00 0.00 0.00 64.86 65.64 3ehu h ILE -1 Cb 0.05 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 3ehu h ILE -1 CO 0.00 0.07 0.15 0.78 0.00 0.00 0.00 178.15 179.16 3ehu h ASN 0 N 0.32 1.06 -0.18 1.72 4.21 -1.22 -0.55 115.58 120.95 3ehu h ASN 0 Ca 0.09 -0.23 -0.12 0.00 1.21 0.00 0.00 56.30 57.24 3ehu h ASN 0 Cb -0.02 -0.28 0.00 0.00 -1.12 0.00 0.00 38.32 36.90 3ehu h ASN 0 CO -0.02 1.02 -0.37 0.00 -1.29 0.00 0.00 177.43 176.78 3ehu h ALA 1 N 1.10 0.28 -0.56 -0.83 0.00 -0.97 -1.14 119.26 117.15 3ehu h ALA 1 Ca 0.22 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 3ehu h ALA 1 Cb 0.39 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3ehu h ALA 1 CO 0.01 0.36 0.10 0.00 0.00 0.00 0.00 179.25 179.72 3ehu h ALA 2 N 0.58 1.13 0.00 0.00 0.00 -0.93 -2.77 119.26 117.28 3ehu h ALA 2 Ca 0.00 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 3ehu h ALA 2 Cb 0.97 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3ehu h ALA 2 CO 0.08 0.58 -0.22 0.66 0.00 0.00 0.00 179.25 180.35 3ehu h SER 3 N 0.84 0.00 0.00 0.00 4.64 -1.14 -3.44 113.55 114.46 3ehu h SER 3 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 3ehu h SER 3 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3ehu h SER 3 CO 0.00 0.22 0.00 0.61 -0.87 0.00 0.00 176.83 176.79 3ehu n GLY 4 N 0.68 0.75 0.35 -0.77 0.00 -0.89 -4.93 105.19 100.39 3ehu n GLY 4 Ca 0.02 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.21 3ehu n GLY 4 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3ehu h ARG 5 N 4.03 0.00 -4.01 1.61 2.43 -1.53 -3.42 114.38 113.50 3ehu h ARG 5 Ca 0.00 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.01 3ehu h ARG 5 Cb 0.00 0.00 -0.20 0.00 -0.42 0.00 0.00 29.97 29.35 3ehu h ARG 5 CO 0.00 0.00 -0.68 -0.65 -1.51 0.00 0.00 179.97 177.13 3ehu s GLN 6 N -5.01 0.38 0.82 0.20 -0.21 -0.61 -5.01 119.66 110.22 3ehu s GLN 6 Ca -0.05 -0.72 -0.11 0.00 0.02 0.00 0.00 55.36 54.50 3ehu s GLN 6 Cb 0.19 0.14 0.08 0.00 1.00 0.00 0.00 33.01 34.42 3ehu s GLN 6 CO 0.71 -0.07 1.09 0.95 -2.12 0.00 0.00 175.29 175.85 3ehu s THR 7 N -1.95 3.08 0.16 -0.19 -4.23 -1.26 -4.01 115.64 107.23 3ehu s THR 7 Ca -0.11 0.35 -0.16 0.00 -1.18 0.00 0.00 61.69 60.58 3ehu s THR 7 Cb -0.06 -2.87 0.04 0.00 1.34 0.00 0.00 72.50 70.94 3ehu s THR 7 CO -0.03 -0.46 1.73 0.58 -0.54 0.00 0.00 174.62 175.90 3ehu h VAL 8 N -1.27 0.81 0.05 2.29 2.07 -1.95 -0.98 116.25 117.27 3ehu h VAL 8 Ca -0.46 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 67.02 3ehu h VAL 8 Cb 1.25 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 3ehu h VAL 8 CO 0.54 0.03 -0.26 0.44 0.02 0.00 0.00 177.57 178.34 3ehu h ASP 9 N 0.18 -0.77 -0.48 0.57 5.19 -1.95 -1.65 116.42 117.51 3ehu h ASP 9 Ca 0.17 0.10 0.09 0.00 -0.62 0.00 0.00 57.03 56.76 3ehu h ASP 9 Cb 0.20 0.30 -0.07 0.00 0.18 0.00 0.00 39.33 39.94 3ehu h ASP 9 CO -0.23 -0.34 0.06 -0.33 -3.12 0.00 0.00 179.24 175.28 3ehu h GLU 10 N -0.43 0.18 -0.44 3.56 5.08 -1.91 -0.13 114.58 120.49 3ehu h GLU 10 Ca 0.05 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 3ehu h GLU 10 Cb 0.49 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 3ehu h GLU 10 CO -0.20 0.12 0.06 0.00 -1.00 0.00 0.00 179.01 177.99 3ehu h ALA 11 N 1.40 0.58 0.00 3.43 0.00 -0.99 -1.13 119.26 122.55 3ehu h ALA 11 Ca 0.24 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 3ehu h ALA 11 Cb 0.34 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3ehu h ALA 11 CO -0.35 0.32 -0.66 -0.07 0.00 0.00 0.00 179.25 178.49 3ehu h LEU 12 N 0.59 0.00 -0.18 0.00 3.38 -1.18 -1.19 115.31 116.73 3ehu h LEU 12 Ca 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3ehu h LEU 12 Cb 0.40 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3ehu h LEU 12 CO 0.01 0.66 0.09 0.50 0.09 0.00 0.00 178.44 179.79 3ehu h LYS 13 N 0.00 0.26 -0.72 1.13 3.64 -0.81 -1.52 116.57 118.55 3ehu h LYS 13 Ca -0.01 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 3ehu h LYS 13 Cb 1.37 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.11 3ehu h LYS 13 CO 0.09 0.27 0.35 -0.44 -2.27 0.00 0.00 179.45 177.45 3ehu h ASP 14 N 0.18 0.92 -0.73 4.20 3.32 -1.12 -2.75 116.42 120.45 3ehu h ASP 14 Ca 0.06 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 3ehu h ASP 14 Cb 0.09 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 3ehu h ASP 14 CO -0.01 0.77 0.31 0.00 -1.72 0.00 0.00 179.24 178.60 3ehu h ALA 15 N 1.37 0.94 -0.31 3.45 0.00 -1.03 0.12 119.26 123.81 3ehu h ALA 15 Ca 0.25 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3ehu h ALA 15 Cb 0.09 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3ehu h ALA 15 CO -0.03 0.54 0.11 0.37 0.00 0.00 0.00 179.25 180.24 3ehu h GLN 16 N 1.03 0.25 -0.22 0.00 4.15 -1.13 0.81 115.11 120.00 3ehu h GLN 16 Ca 0.24 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.67 3ehu h GLN 16 Cb 0.18 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 3ehu h GLN 16 CO -0.02 0.16 0.09 1.15 -1.93 0.00 0.00 178.83 178.27 3ehu h THR 17 N 0.25 0.96 -0.20 2.39 2.02 -1.12 -2.83 112.91 114.38 3ehu h THR 17 Ca 0.14 -0.07 -0.13 0.00 0.77 0.00 0.00 66.41 67.12 3ehu h THR 17 Cb 0.10 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 3ehu h THR 17 CO -0.13 0.04 -0.41 0.78 0.37 0.00 0.00 175.52 176.16 3ehu h ASN 18 N 0.20 0.50 0.81 4.18 2.35 -0.50 -2.68 115.58 120.43 3ehu h ASN 18 Ca 0.09 -0.22 -0.06 0.00 -0.55 0.00 0.00 56.30 55.56 3ehu h ASN 18 Cb 0.05 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 3ehu h ASN 18 CO -0.09 0.86 -0.30 0.00 -1.65 0.00 0.00 177.43 176.25 3ehu h ALA 19 N 1.16 1.05 -0.59 -0.83 0.00 -0.79 -2.79 119.26 116.47 3ehu h ALA 19 Ca 0.03 -0.28 -0.30 0.00 0.00 0.00 0.00 54.91 54.36 3ehu h ALA 19 Cb 0.89 -0.05 -0.18 0.00 0.00 0.00 0.00 17.79 18.45 3ehu h ALA 19 CO 0.08 0.38 0.18 0.00 0.00 0.00 0.00 179.25 179.89 3ehu n ALA 20 N -2.28 4.80 0.26 0.00 0.00 -1.07 -4.49 120.51 117.72 3ehu n ALA 20 Ca -0.00 -3.06 0.08 0.00 0.00 0.00 0.00 53.44 50.46 3ehu n ALA 20 Cb 0.45 -1.00 0.65 0.00 0.00 0.00 0.00 19.45 19.56 3ehu n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ehu h ALA 21 N 1.01 1.86 0.00 0.00 0.00 -1.19 -1.83 119.26 119.12 3ehu h ALA 21 Ca 0.37 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3ehu h ALA 21 Cb 2.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.89 3ehu h ALA 21 CO 0.65 0.05 0.07 1.05 0.00 0.00 0.00 179.25 181.07 3ehu h GLU 22 N 0.00 0.00 -6.17 0.00 4.11 -1.86 -3.51 114.58 107.15 3ehu h GLU 22 Ca -0.00 0.00 -0.69 0.00 0.07 0.00 0.00 59.36 58.74 3ehu h GLU 22 Cb 0.07 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 29.12 3ehu h GLU 22 CO 0.01 0.00 -0.71 -0.06 0.07 0.00 0.00 179.01 178.32 3ehu s PHE 23 N -3.88 2.89 0.00 2.06 0.40 -0.69 -5.24 117.98 113.52 3ehu s PHE 23 Ca -0.04 -0.02 0.00 0.00 -0.60 0.00 0.00 56.93 56.27 3ehu s PHE 23 Cb 0.09 -1.70 0.00 0.00 0.51 0.00 0.00 43.02 41.93 3ehu s PHE 23 CO 0.30 0.30 0.00 -3.47 0.70 0.00 0.00 175.22 173.05 3ehu n ASP 27 N 2.25 0.00 0.06 1.36 2.03 -1.26 -5.18 116.55 115.81 3ehu n ASP 27 Ca -0.18 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.01 3ehu n ASP 27 Cb 0.53 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.84 3ehu n ASP 27 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 3ehu h GLN 28 N 0.00 -0.17 -0.92 -0.67 4.20 -2.00 -3.33 115.11 112.23 3ehu h GLN 28 Ca 0.00 0.01 0.24 0.00 0.06 0.00 0.00 58.65 58.96 3ehu h GLN 28 Cb 0.00 0.04 -0.13 0.00 0.30 0.00 0.00 27.48 27.68 3ehu h GLN 28 CO 0.00 0.23 0.39 1.25 -0.67 0.00 0.00 178.83 180.03 3ehu h HIS 29 N -0.62 0.64 -0.28 2.96 2.76 -2.03 -2.05 115.15 116.53 3ehu h HIS 29 Ca -0.02 0.04 -0.15 0.00 -2.20 0.00 0.00 60.37 58.04 3ehu h HIS 29 Cb 0.48 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.29 3ehu h HIS 29 CO 0.06 -0.11 -0.45 0.00 -1.30 0.00 0.00 177.93 176.14 3ehu n GLU 31 N -4.02 0.32 0.00 0.00 1.02 -0.77 -2.49 120.64 114.69 3ehu n GLU 31 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 3ehu n GLU 31 Cb 0.56 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.72 3ehu n GLU 31 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3ehu n SER 32 N 0.63 1.20 -0.03 1.62 3.41 -1.23 -4.78 113.62 114.43 3ehu n SER 32 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3ehu n SER 32 Cb 0.12 0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 3ehu n SER 32 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3ehu n LEU 33 N -0.59 0.03 -2.70 1.04 4.77 -1.04 -1.92 117.00 116.60 3ehu n LEU 33 Ca 0.00 -0.01 -0.06 0.00 -0.03 0.00 0.00 56.01 55.91 3ehu n LEU 33 Cb 0.05 -0.01 0.09 0.00 -2.33 0.00 0.00 43.42 41.22 3ehu n LEU 33 CO 0.00 0.01 0.31 -0.24 -1.33 0.00 0.00 177.39 176.14 3ehu n SER 34 N -0.44 -0.59 0.04 -1.43 2.88 -1.26 -4.92 113.62 107.89 3ehu n SER 34 Ca 0.00 -2.43 -0.20 0.00 -1.33 0.00 0.00 58.87 54.90 3ehu n SER 34 Cb 0.01 0.40 -0.10 0.00 -0.75 0.00 0.00 64.21 63.76 3ehu n SER 34 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3ehu h LEU 35 N 2.14 0.91 0.00 2.46 3.38 -1.69 -3.12 115.31 119.40 3ehu h LEU 35 Ca -0.25 -0.73 0.00 0.00 0.09 0.00 0.00 57.88 56.99 3ehu h LEU 35 Cb 1.27 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.74 3ehu h LEU 35 CO 0.08 1.53 0.00 0.00 0.09 0.00 0.00 178.44 180.14 3ehu n ALA 36 N -2.65 2.35 -2.30 1.53 0.00 -1.26 -4.77 120.51 113.42 3ehu n ALA 36 Ca -0.11 -0.09 -0.42 0.00 0.00 0.00 0.00 53.44 52.82 3ehu n ALA 36 Cb 0.87 -1.24 -0.03 0.00 0.00 0.00 0.00 19.45 19.05 3ehu n ALA 36 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3ehu s SER 37 N -1.70 6.92 -0.61 0.00 1.04 -1.18 -4.98 113.70 113.20 3ehu s SER 37 Ca 0.22 2.04 0.04 0.00 0.48 0.00 0.00 55.95 58.73 3ehu s SER 37 Cb 0.10 -2.56 0.15 0.00 0.10 0.00 0.00 66.02 63.81 3ehu s SER 37 CO 0.17 -0.65 0.38 0.21 0.98 0.00 0.00 173.24 174.32 3ehu s ASN 38 N 1.63 4.61 -0.15 7.02 3.04 -1.26 -5.09 114.94 124.74 3ehu s ASN 38 Ca 0.61 -3.37 -0.04 0.00 0.04 0.00 0.00 52.86 50.11 3ehu s ASN 38 Cb -0.30 -1.66 -0.03 0.00 -1.54 0.00 0.00 41.25 37.73 3ehu s ASN 38 CO 0.26 -0.18 -0.03 -0.63 -3.04 0.00 0.00 177.10 173.48 3ehu s ILE 39 N -0.79 3.99 -0.11 -5.21 1.01 -1.26 -5.11 121.20 113.73 3ehu s ILE 39 Ca 0.20 -0.33 -0.06 0.00 0.00 0.00 0.00 60.65 60.46 3ehu s ILE 39 Cb -0.17 -2.74 -0.04 0.00 0.01 0.00 0.00 42.46 39.52 3ehu s ILE 39 CO -0.07 0.50 0.13 -0.44 0.00 0.00 0.00 174.94 175.06 3ehu s SER 40 N 0.21 6.29 0.00 3.58 0.01 -1.26 -5.00 113.70 117.54 3ehu s SER 40 Ca -0.02 0.43 0.00 0.00 1.31 0.00 0.00 55.95 57.68 3ehu s SER 40 Cb -0.14 -2.02 0.00 0.00 0.21 0.00 0.00 66.02 64.08 3ehu s SER 40 CO 0.03 0.40 0.00 0.61 0.41 0.00 0.00 173.24 174.68 3ehu n GLY 41 N 1.92 -1.80 3.78 3.44 0.00 -1.26 -4.98 105.19 106.29 3ehu n GLY 41 Ca -0.19 -1.71 -0.35 0.00 0.00 0.00 0.00 46.02 43.77 3ehu n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ehu s LEU 42 N 0.00 3.72 0.02 0.99 1.43 -1.26 -4.95 118.68 118.64 3ehu s LEU 42 Ca 0.00 2.13 -0.13 0.00 -1.03 0.00 0.00 54.13 55.10 3ehu s LEU 42 Cb 0.00 -4.58 0.02 0.00 0.03 0.00 0.00 46.19 41.66 3ehu s LEU 42 CO 0.00 -1.21 0.29 -1.10 0.23 0.00 0.00 176.35 174.56 3ehu s GLN 43 N -3.37 0.74 -0.04 1.70 -0.21 -1.26 -1.38 119.66 115.84 3ehu s GLN 43 Ca 0.72 -0.42 -0.16 0.00 0.02 0.00 0.00 55.36 55.51 3ehu s GLN 43 Cb -0.23 0.32 -0.05 0.00 1.00 0.00 0.00 33.01 34.05 3ehu s GLN 43 CO 0.28 -0.22 0.44 0.00 -2.12 0.00 0.00 175.29 173.66 3ehu s ASN 45 N -0.38 4.78 0.26 0.00 0.01 -1.26 -1.35 114.94 117.00 3ehu s ASN 45 Ca 0.25 1.51 -0.31 0.00 -0.71 0.00 0.00 52.86 53.60 3ehu s ASN 45 Cb -0.16 -2.29 -0.11 0.00 0.41 0.00 0.00 41.25 39.10 3ehu s ASN 45 CO 0.12 -1.81 1.59 0.00 -1.51 0.00 0.00 177.10 175.49 3ehu s ALA 46 N -3.06 3.76 -0.06 0.60 0.00 -1.26 -4.49 121.76 117.26 3ehu s ALA 46 Ca 0.60 1.51 -0.07 0.00 0.00 0.00 0.00 51.96 53.99 3ehu s ALA 46 Cb -0.15 -3.64 0.02 0.00 0.00 0.00 0.00 23.12 19.35 3ehu s ALA 46 CO 0.55 -0.91 0.19 0.45 0.00 0.00 0.00 175.76 176.05 3ehu s SER 47 N 0.67 -0.17 -0.16 0.00 0.15 -0.07 -4.81 113.70 109.31 3ehu s SER 47 Ca 0.65 0.29 -0.20 0.00 0.70 0.00 0.00 55.95 57.39 3ehu s SER 47 Cb -0.47 0.37 -0.03 0.00 -1.71 0.00 0.00 66.02 64.18 3ehu s SER 47 CO 0.42 -0.13 0.59 -0.69 1.20 0.00 0.00 173.24 174.63 3ehu s VAL 48 N -0.20 5.07 0.98 4.45 1.01 -1.26 -0.17 120.40 130.29 3ehu s VAL 48 Ca -0.03 1.14 -0.16 0.00 0.00 0.00 0.00 61.98 62.93 3ehu s VAL 48 Cb -0.03 -3.92 0.22 0.00 0.00 0.00 0.00 36.38 32.66 3ehu s VAL 48 CO 0.01 0.19 1.33 1.51 0.00 0.00 0.00 175.10 178.14 3ehu s ASP 49 N 1.00 2.91 0.54 3.32 1.47 -0.03 -4.91 116.67 120.96 3ehu s ASP 49 Ca 0.29 0.12 0.32 0.00 1.18 0.00 0.00 52.55 54.47 3ehu s ASP 49 Cb -0.16 -0.09 1.30 0.00 -0.34 0.00 0.00 42.92 43.63 3ehu s ASP 49 CO 0.11 -2.85 1.96 -0.07 0.68 0.00 0.00 175.17 175.01 3ehu h LEU 50 N -1.70 0.00 0.00 2.11 3.38 -1.98 -1.61 115.31 115.51 3ehu h LEU 50 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3ehu h LEU 50 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3ehu h LEU 50 CO 0.33 0.02 -0.33 -0.38 0.09 0.00 0.00 178.44 178.17 3ehu n ILE 51 N -3.13 0.27 0.00 1.22 5.41 -1.26 -4.94 119.36 116.94 3ehu n ILE 51 Ca 0.01 -0.17 0.00 0.00 1.00 0.00 0.00 62.75 63.59 3ehu n ILE 51 Cb 0.32 -0.24 0.00 0.00 -0.71 0.00 0.00 39.64 39.02 3ehu n ILE 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3ehu n GLY 52 N 1.39 0.55 3.72 7.39 0.00 -0.61 -5.00 105.19 112.64 3ehu n GLY 52 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3ehu n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ehu s THR 53 N -2.00 3.59 -0.27 2.61 2.01 -1.26 -4.72 115.64 115.60 3ehu s THR 53 Ca 0.00 1.18 -0.23 0.00 0.31 0.00 0.00 61.69 62.95 3ehu s THR 53 Cb 0.00 -3.76 -0.00 0.00 0.01 0.00 0.00 72.50 68.75 3ehu s THR 53 CO 0.00 0.11 0.78 0.00 -0.69 0.00 0.00 174.62 174.83 3ehu s TRP 55 N 2.84 3.22 0.65 0.00 0.52 0.76 -4.98 118.94 121.95 3ehu s TRP 55 Ca 0.33 -0.07 -0.13 0.00 0.02 0.00 0.00 56.10 56.25 3ehu s TRP 55 Cb -0.15 -2.43 -0.01 0.00 -1.15 0.00 0.00 33.47 29.73 3ehu s TRP 55 CO 0.10 -0.27 1.06 -1.25 0.02 0.00 0.00 176.95 176.60 3ehu s PRO 56 N 1.74 3.10 -0.34 4.98 0.04 -1.26 -0.90 135.00 142.36 3ehu s PRO 56 Ca 0.06 1.09 -0.40 0.00 0.04 0.00 0.00 61.00 61.80 3ehu s PRO 56 Cb -0.17 -2.01 -0.15 0.00 0.04 0.00 0.00 34.50 32.21 3ehu s PRO 56 CO 0.11 -0.97 1.91 -2.13 0.04 0.00 0.00 177.00 175.95 3ehu n ARG 57 N -2.58 0.90 -4.25 4.56 0.63 -1.26 -4.55 116.66 110.11 3ehu n ARG 57 Ca 0.08 0.30 -0.20 0.00 -0.92 0.00 0.00 57.85 57.11 3ehu n ARG 57 Cb 0.53 -2.08 -0.12 0.00 0.45 0.00 0.00 32.46 31.25 3ehu n ARG 57 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 3ehu s SER 58 N 4.86 2.17 0.50 6.15 0.01 -0.45 -4.92 113.70 122.01 3ehu s SER 58 Ca 1.05 -0.75 -0.23 0.00 1.31 0.00 0.00 55.95 57.34 3ehu s SER 58 Cb -1.10 -0.10 -0.06 0.00 0.21 0.00 0.00 66.02 64.97 3ehu s SER 58 CO 0.63 -0.06 1.29 -2.84 0.41 0.00 0.00 173.24 172.66 3ehu s PRO 59 N -2.30 3.48 0.31 12.44 0.02 -1.26 -0.97 135.00 146.72 3ehu s PRO 59 Ca 0.07 2.07 -0.29 0.00 0.02 0.00 0.00 61.00 62.87 3ehu s PRO 59 Cb -0.07 -2.38 -0.10 0.00 0.02 0.00 0.00 34.50 31.96 3ehu s PRO 59 CO 0.04 -0.87 1.43 0.00 -0.33 0.00 0.00 177.00 177.27 3ehu s ALA 60 N -1.38 3.59 0.00 -1.55 0.00 -0.48 -3.58 121.76 118.37 3ehu s ALA 60 Ca 0.67 1.40 0.00 0.00 0.00 0.00 0.00 51.96 54.02 3ehu s ALA 60 Cb -0.36 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.20 3ehu s ALA 60 CO 0.44 -0.82 0.00 0.41 0.00 0.00 0.00 175.76 175.79 3ehu n GLY 61 N 1.39 0.66 3.27 0.00 0.00 0.89 -4.83 105.19 106.57 3ehu n GLY 61 Ca 0.04 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.24 3ehu n GLY 61 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ehu s GLN 62 N -1.03 1.80 0.21 1.61 -0.21 -1.10 -4.97 119.66 115.97 3ehu s GLN 62 Ca 0.00 -0.89 -0.30 0.00 0.02 0.00 0.00 55.36 54.19 3ehu s GLN 62 Cb 0.00 -1.80 -0.08 0.00 1.00 0.00 0.00 33.01 32.13 3ehu s GLN 62 CO 0.00 0.48 1.19 -1.17 -2.12 0.00 0.00 175.29 173.67 3ehu s LEU 63 N -0.74 4.47 -0.02 2.90 2.96 -1.26 -1.53 118.68 125.45 3ehu s LEU 63 Ca 0.09 2.27 0.06 0.00 -0.22 0.00 0.00 54.13 56.33 3ehu s LEU 63 Cb -0.09 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 42.96 3ehu s LEU 63 CO -0.00 -0.34 -0.20 -0.69 -1.32 0.00 0.00 176.35 173.80 3ehu s VAL 64 N -0.30 2.57 -0.12 1.68 1.01 0.55 -4.94 120.40 120.84 3ehu s VAL 64 Ca 0.51 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.55 3ehu s VAL 64 Cb -0.33 -1.97 0.01 0.00 0.00 0.00 0.00 36.38 34.09 3ehu s VAL 64 CO 0.38 0.55 -0.18 -0.69 0.00 0.00 0.00 175.10 175.16 3ehu s VAL 65 N -0.71 1.74 0.03 2.92 1.01 -1.26 -1.46 120.40 122.67 3ehu s VAL 65 Ca 0.11 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.34 3ehu s VAL 65 Cb -0.10 -1.57 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 3ehu s VAL 65 CO 0.00 0.49 -0.10 -0.13 0.00 0.00 0.00 175.10 175.36 3ehu s ARG 66 N 0.93 0.72 0.53 2.72 1.81 -0.75 -4.99 118.95 119.92 3ehu s ARG 66 Ca -0.06 -0.60 -0.22 0.00 -1.72 0.00 0.00 55.73 53.13 3ehu s ARG 66 Cb -0.15 -0.66 -0.05 0.00 -0.45 0.00 0.00 34.95 33.64 3ehu s ARG 66 CO -0.02 0.16 1.32 -2.14 -0.68 0.00 0.00 175.30 173.94 3ehu s PRO 67 N -0.94 3.24 0.47 3.54 0.02 -1.26 0.04 135.00 140.11 3ehu s PRO 67 Ca -0.01 2.14 -0.24 0.00 0.02 0.00 0.00 61.00 62.91 3ehu s PRO 67 Cb -0.07 -2.27 -0.08 0.00 0.02 0.00 0.00 34.50 32.10 3ehu s PRO 67 CO 0.01 -1.08 1.22 0.00 -0.33 0.00 0.00 177.00 176.82 3ehu n PRO 69 N -0.33 2.18 -0.28 0.00 -0.04 -1.26 -4.46 135.00 130.81 3ehu n PRO 69 Ca 0.09 0.79 -0.04 0.00 -0.04 0.00 0.00 63.50 64.29 3ehu n PRO 69 Cb 0.42 -2.58 0.07 0.00 -0.04 0.00 0.00 33.50 31.37 3ehu n PRO 69 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ehu h ALA 70 N 6.52 0.98 -3.32 0.55 0.00 -1.91 -3.35 119.26 118.73 3ehu h ALA 70 Ca -0.45 -0.06 -0.44 0.00 0.00 0.00 0.00 54.91 53.96 3ehu h ALA 70 Cb 1.25 -0.31 -0.36 0.00 0.00 0.00 0.00 17.79 18.37 3ehu h ALA 70 CO 0.90 0.40 -0.77 -0.59 0.00 0.00 0.00 179.25 179.19 3ehu s PHE 71 N -6.12 0.83 -0.23 0.00 -0.71 -1.26 -2.02 117.98 108.48 3ehu s PHE 71 Ca -0.13 -0.27 0.01 0.00 -1.04 0.00 0.00 56.93 55.50 3ehu s PHE 71 Cb 0.15 -0.82 0.05 0.00 -1.21 0.00 0.00 43.02 41.19 3ehu s PHE 71 CO 0.78 -0.31 -0.08 0.12 -1.34 0.00 0.00 175.22 174.40 3ehu s PHE 72 N 1.54 2.51 -1.39 3.49 5.36 -0.25 -4.74 117.98 124.51 3ehu s PHE 72 Ca -0.01 -1.78 -0.08 0.00 -0.96 0.00 0.00 56.93 54.10 3ehu s PHE 72 Cb -0.13 -1.64 0.03 0.00 -0.34 0.00 0.00 43.02 40.94 3ehu s PHE 72 CO -0.04 -0.78 1.01 2.48 -1.46 0.00 0.00 175.22 176.44 3ehu n TYR 73 N 4.64 -2.43 -3.10 10.12 4.11 -1.26 -2.86 117.16 126.38 3ehu n TYR 73 Ca -0.13 0.94 -0.13 0.00 -0.00 0.00 0.00 57.90 58.58 3ehu n TYR 73 Cb 0.45 -4.58 0.05 0.00 -0.00 0.00 0.00 39.34 35.25 3ehu n TYR 73 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 3ehu n GLY 74 N -1.71 0.07 2.79 -7.48 0.00 -1.26 -5.05 105.19 92.55 3ehu n GLY 74 Ca -0.07 -0.13 -0.15 0.00 0.00 0.00 0.00 46.02 45.67 3ehu n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ehu s VAL 75 N -3.19 -0.06 0.28 1.61 1.01 -1.13 -5.12 120.40 113.80 3ehu s VAL 75 Ca 0.30 0.21 -0.29 0.00 0.00 0.00 0.00 61.98 62.19 3ehu s VAL 75 Cb -0.13 -0.10 -0.10 0.00 0.00 0.00 0.00 36.38 36.06 3ehu s VAL 75 CO 0.43 0.09 1.14 0.00 0.00 0.00 0.00 175.10 176.75 3ehu s ARG 76 N 1.07 4.58 0.32 2.72 3.03 -1.26 -1.09 118.95 128.32 3ehu s ARG 76 Ca -0.09 1.88 0.03 0.00 2.03 0.00 0.00 55.73 59.59 3ehu s ARG 76 Cb -0.13 -3.17 -0.06 0.00 -1.03 0.00 0.00 34.95 30.56 3ehu s ARG 76 CO -0.03 0.12 0.07 0.71 -1.13 0.00 0.00 175.30 175.04 3ehu s TYR 77 N -1.09 1.89 -0.43 5.89 1.51 -0.86 -4.80 117.35 119.46 3ehu s TYR 77 Ca 0.46 -1.02 -0.22 0.00 -1.01 0.00 0.00 57.07 55.28 3ehu s TYR 77 Cb -0.33 -1.22 0.02 0.00 -0.11 0.00 0.00 41.96 40.32 3ehu s TYR 77 CO 0.43 -0.07 0.71 1.21 -1.11 0.00 0.00 175.55 176.72 3ehu s ASN 78 N -3.47 6.38 0.00 2.29 3.84 -1.18 -4.74 114.94 118.06 3ehu s ASN 78 Ca 0.36 -0.17 0.21 0.00 0.21 0.00 0.00 52.86 53.46 3ehu s ASN 78 Cb 0.08 -2.35 0.91 0.00 -0.55 0.00 0.00 41.25 39.34 3ehu s ASN 78 CO 0.15 -0.82 1.66 0.35 -2.79 0.00 0.00 177.10 175.65 3ehu n THR 79 N 5.94 0.55 0.47 -5.21 -2.24 -1.26 -1.79 114.28 110.74 3ehu n THR 79 Ca 0.00 0.14 0.13 0.00 -2.27 0.00 0.00 64.05 62.05 3ehu n THR 79 Cb 0.48 -0.79 0.31 0.00 -2.10 0.00 0.00 70.33 68.23 3ehu n THR 79 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3ehu h THR 80 N 0.00 0.00 -3.67 4.28 2.02 -1.91 -3.38 112.91 110.25 3ehu h THR 80 Ca 0.00 -0.68 -0.50 0.00 0.77 0.00 0.00 66.41 66.01 3ehu h THR 80 Cb 0.32 1.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.40 3ehu h THR 80 CO 0.00 0.00 0.10 0.20 0.37 0.00 0.00 175.52 176.19 3ehu s ASN 81 N -5.15 6.52 0.16 4.18 0.01 -0.74 -4.98 114.94 114.93 3ehu s ASN 81 Ca 0.09 1.11 0.11 0.00 -0.71 0.00 0.00 52.86 53.46 3ehu s ASN 81 Cb 0.10 -2.31 -0.04 0.00 0.41 0.00 0.00 41.25 39.40 3ehu s ASN 81 CO 0.63 -0.39 -0.25 0.20 -1.51 0.00 0.00 177.10 175.79 3ehu s ASN 82 N -3.15 3.29 0.23 -1.22 0.01 -1.26 -0.61 114.94 112.23 3ehu s ASN 82 Ca 0.51 -0.82 -0.00 0.00 -0.71 0.00 0.00 52.86 51.84 3ehu s ASN 82 Cb -0.10 -0.23 -0.04 0.00 0.41 0.00 0.00 41.25 41.29 3ehu s ASN 82 CO 0.31 0.13 0.43 -0.83 -1.51 0.00 0.00 177.10 175.62 3ehu s GLY 83 N -2.41 1.67 -0.04 0.66 0.00 0.11 -4.41 107.32 102.89 3ehu s GLY 83 Ca 0.17 -0.86 0.01 0.00 0.00 0.00 0.00 44.72 44.05 3ehu s GLY 83 CO 0.08 -0.81 -0.05 -0.19 0.00 0.00 0.00 173.10 172.13 3ehu s TYR 84 N -1.97 0.77 -0.05 1.90 1.51 -0.95 -1.81 117.35 116.76 3ehu s TYR 84 Ca 0.39 -0.21 -0.03 0.00 -1.01 0.00 0.00 57.07 56.20 3ehu s TYR 84 Cb -0.11 -0.67 0.02 0.00 -0.11 0.00 0.00 41.96 41.10 3ehu s TYR 84 CO 0.30 -0.19 0.12 0.50 -1.11 0.00 0.00 175.55 175.17 3ehu s ARG 85 N 0.86 0.10 -0.08 -0.62 3.52 -0.53 -0.94 118.95 121.25 3ehu s ARG 85 Ca -0.12 0.24 -0.20 0.00 -0.13 0.00 0.00 55.73 55.53 3ehu s ARG 85 Cb -0.14 -0.06 -0.04 0.00 -1.56 0.00 0.00 34.95 33.14 3ehu s ARG 85 CO 0.01 -0.09 0.54 -2.00 -0.81 0.00 0.00 175.30 172.95 3ehu s GLU 86 N 0.59 4.34 -0.44 5.12 2.56 -1.26 -0.33 118.70 129.28 3ehu s GLU 86 Ca -0.04 0.59 -0.24 0.00 0.00 0.00 0.00 54.97 55.27 3ehu s GLU 86 Cb -0.06 -3.41 0.02 0.00 2.00 0.00 0.00 34.13 32.68 3ehu s GLU 86 CO -0.03 0.20 0.85 0.00 -0.56 0.00 0.00 175.26 175.72 3ehu s LEU 88 N 3.45 2.76 0.59 0.00 1.43 0.15 -0.08 118.68 126.98 3ehu s LEU 88 Ca 0.33 1.91 0.30 0.00 -1.03 0.00 0.00 54.13 55.65 3ehu s LEU 88 Cb -0.11 -4.41 1.84 0.00 0.03 0.00 0.00 46.19 43.53 3ehu s LEU 88 CO 0.23 -2.63 2.25 0.00 0.23 0.00 0.00 176.35 176.43 3ehu h ALA 89 N -1.54 1.53 -0.08 4.21 0.00 -1.88 -1.01 119.26 120.49 3ehu h ALA 89 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3ehu h ALA 89 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3ehu h ALA 89 CO 0.48 -0.02 0.00 0.27 0.00 0.00 0.00 179.25 179.98 3ehu n ASN 90 N -3.81 1.39 0.00 0.00 0.23 -1.26 -4.70 115.26 107.11 3ehu n ASN 90 Ca -0.03 -1.55 0.00 0.00 -0.53 0.00 0.00 54.58 52.48 3ehu n ASN 90 Cb 0.10 -0.04 0.00 0.00 -2.08 0.00 0.00 39.78 37.76 3ehu n ASN 90 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ehu n GLY 91 N 1.13 0.57 3.88 4.83 0.00 -0.40 -4.87 105.19 110.32 3ehu n GLY 91 Ca 0.18 -0.32 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 3ehu n GLY 91 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ehu s SER 92 N -2.29 6.28 0.35 1.61 0.01 -1.26 -3.56 113.70 114.84 3ehu s SER 92 Ca 0.00 0.36 -0.28 0.00 1.31 0.00 0.00 55.95 57.34 3ehu s SER 92 Cb 0.00 -1.97 -0.10 0.00 0.21 0.00 0.00 66.02 64.16 3ehu s SER 92 CO 0.00 0.31 1.33 0.26 0.41 0.00 0.00 173.24 175.55 3ehu s TRP 93 N -1.21 2.97 0.32 2.43 0.52 -1.26 -0.68 118.94 122.03 3ehu s TRP 93 Ca 0.23 1.39 -0.29 0.00 0.02 0.00 0.00 56.10 57.44 3ehu s TRP 93 Cb -0.12 -3.72 -0.12 0.00 -1.15 0.00 0.00 33.47 28.36 3ehu s TRP 93 CO 0.13 -2.01 1.38 0.00 0.02 0.00 0.00 176.95 176.47 3ehu n ALA 94 N 0.68 1.55 0.25 0.98 0.00 0.01 -4.85 120.51 119.13 3ehu n ALA 94 Ca 0.01 0.37 0.09 0.00 0.00 0.00 0.00 53.44 53.91 3ehu n ALA 94 Cb 0.42 -2.31 0.64 0.00 0.00 0.00 0.00 19.45 18.20 3ehu n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ehu h ALA 95 N 3.23 1.58 -3.82 0.00 0.00 -1.94 -3.44 119.26 114.88 3ehu h ALA 95 Ca -0.47 -0.11 -0.68 0.00 0.00 0.00 0.00 54.91 53.65 3ehu h ALA 95 Cb 1.27 -0.02 -0.20 0.00 0.00 0.00 0.00 17.79 18.84 3ehu h ALA 95 CO 0.68 0.15 -0.75 0.50 0.00 0.00 0.00 179.25 179.83 3ehu s ARG 96 N -4.55 2.42 -0.10 0.00 3.52 -1.26 -5.10 118.95 113.88 3ehu s ARG 96 Ca -0.04 -0.78 -0.02 0.00 -0.13 0.00 0.00 55.73 54.77 3ehu s ARG 96 Cb 0.15 -2.39 -0.03 0.00 -1.56 0.00 0.00 34.95 31.12 3ehu s ARG 96 CO 0.64 0.59 -0.02 0.08 -0.81 0.00 0.00 175.30 175.79 3ehu s VAL 97 N -0.90 4.13 -0.57 7.11 1.01 -1.26 -4.69 120.40 125.23 3ehu s VAL 97 Ca 0.15 -0.31 -0.27 0.00 0.00 0.00 0.00 61.98 61.55 3ehu s VAL 97 Cb -0.11 -2.75 0.03 0.00 0.00 0.00 0.00 36.38 33.56 3ehu s VAL 97 CO 0.05 0.58 1.13 0.21 0.00 0.00 0.00 175.10 177.06 3ehu s ASN 98 N -0.57 6.43 -0.03 3.32 2.47 -0.11 -4.84 114.94 121.60 3ehu s ASN 98 Ca 0.09 0.01 0.14 0.00 0.42 0.00 0.00 52.86 53.53 3ehu s ASN 98 Cb -0.12 -2.53 0.43 0.00 -1.45 0.00 0.00 41.25 37.58 3ehu s ASN 98 CO 0.02 -1.41 1.36 -1.22 -3.72 0.00 0.00 177.10 172.13 3ehu n TYR 99 N 8.19 0.70 -0.22 0.43 4.02 -1.26 -2.23 117.16 126.79 3ehu n TYR 99 Ca 0.07 -0.55 0.08 0.00 -0.01 0.00 0.00 57.90 57.49 3ehu n TYR 99 Cb 0.49 -0.07 0.35 0.00 -0.02 0.00 0.00 39.34 40.08 3ehu n TYR 99 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3ehu h SER 100 N 2.58 0.68 1.37 7.72 4.64 -1.89 -2.23 113.55 126.41 3ehu h SER 100 Ca 0.00 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.30 3ehu h SER 100 Cb 0.92 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.88 3ehu h SER 100 CO 0.05 0.42 -0.16 -0.33 -0.87 0.00 0.00 176.83 175.94 3ehu h GLU 101 N 0.76 0.00 -5.10 4.77 5.08 -1.84 -3.40 114.58 114.85 3ehu h GLU 101 Ca 0.36 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.41 3ehu h GLU 101 Cb 0.39 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.66 3ehu h GLU 101 CO -0.13 0.16 0.93 0.00 -1.00 0.00 0.00 179.01 178.96 3ehu s GLN 103 N 7.10 4.06 0.00 0.00 0.74 -1.26 -4.88 119.66 125.41 3ehu s GLN 103 Ca 0.72 2.41 0.13 0.00 0.05 0.00 0.00 55.36 58.67 3ehu s GLN 103 Cb 0.03 -2.90 0.80 0.00 1.10 0.00 0.00 33.01 32.04 3ehu s GLN 103 CO 0.19 -0.51 1.22 0.39 -0.55 0.00 0.00 175.29 176.03